(Q27165077)

MLS001173269 (English)

9 October 2016

chemical formula

C₁₇H₁₉ClN₂O₃

1 reference

MLS001173269 (English)

9 October 2016

canonical SMILES

CC1(C2=C(CC(N1C(=O)CCl)C(=O)OC)C3=CC=CC=C3N2)C

1 reference

MLS001173269 (English)

9 October 2016

isomeric SMILES

CC1(C2=C(C[C@H](N1C(=O)CCl)C(=O)OC)C3=CC=CC=C3N2)C

1 reference

MLS001173269 (English)

InChI=1S/C17H19ClN2O3/c1-17(2)15-11(10-6-4-5-7-12(10)19-15)8-13(16(22)23-3)20(17)14(21)9-18/h4-7,13,19H,8-9H2,1-3H3/t13-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

MLS001173269 (English)

YTNZJAMWMLPAQY-ZDUSSCGKSA-N

9 October 2016

InChIKey

2 references

MLS001173269 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

Methyl (3S)-2-(chloroacetyl)-1,1-dimethyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylate (English)

9 October 2016

2 references

MLS001173269 (English)

matched by identifier from

9 October 2016

InChIKey

YTNZJAMWMLPAQY-ZDUSSCGKSA-N

ChEBI ID

93372

mapping relation type

2 references

(3S)-2-(2-chloro-1-oxoethyl)-1,1-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester (English)

matched by identifier from

9 October 2016

International Chemical Identifier

InChI

InChI=1S/C17H19ClN2O3/c1-17(2)15-11(10-6-4-5-7-12(10)19-15)8-13(16(22)23-3)20(17)14(21)9-18/h4-7,13,19H,8-9H2,1-3H3/t13-/m0/s1

1 reference