(Q27216082)

BRD-A98838152-001-01-7 (English)

11 October 2016

chemical formula

C₂₃H₂₈N₂O₃

1 reference

BRD-A98838152-001-01-7 (English)

11 October 2016

canonical SMILES

COC1=CC=CC(=C1OC)C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4

1 reference

BRD-A98838152-001-01-7 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC(=C1OC)C(=O)NC2C[C@H]3CCC(C2)N3CC4=CC=CC=C4

1 reference

BRD-A98838152-001-01-7 (English)

InChI=1S/C23H28N2O3/c1-27-21-10-6-9-20(22(21)28-2)23(26)24-17-13-18-11-12-19(14-17)25(18)15-16-7-4-3-5-8-16/h3-10,17-19H,11-15H2,1-2H3,(H,24,26)/t17?,18-,19?/m1/s1

11 October 2016

Identifiers

InChI

1 reference

BRD-A98838152-001-01-7 (English)

PCIWCYUKRZFCMF-JLAWEPINSA-N

11 October 2016

InChIKey

2 references

BRD-A98838152-001-01-7 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-A98838152-001-01-7 (English)

11 October 2016

ChEBI ID

125463

mapping relation type

1 reference