(Q6817818)

inferred from isomeric SMILES

Barnidipine (English)

publication date

17 November 2015

chemical structure

Barnidipine.png
836 × 515; 9 KB

0 references

mass

491.20563564799994 dalton

1 reference

based on heuristic

chemical formula

C₂₇H₂₉N₃O₆

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canonical SMILES

COC(=O)C1=C(C)NC(C)=C(C(=O)OC2CCN(Cc3ccccc3)C2)C1c1cccc([N+](=O)[O-])c1

1 reference

based on heuristic

inferred from isomeric SMILES

isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)O[C@H]2CCN(C2)CC3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC

1 reference

InChI=1S/C27H29N3O6/c1-17-23(26(31)35-3)25(20-10-7-11-21(14-20)30(33)34)24(18(2)28-17)27(32)36-22-12-13-29(16-22)15-19-8-5-4-6-9-19/h4-11,14,22,25,28H,12-13,15-16H2,1-3H3/t22-,25?/m0/s1

barnidipine (English)

retrieved

19 September 2016

has part(s)

barnidipine

0 references

Identifiers

InChI

1 reference

VXMOONUMYLCFJD-XADRRFQNSA-N

barnidipine (English)

retrieved

19 September 2016

InChIKey

1 reference

barnidipine (English)

19 September 2016

1 reference

(3S)-1-Benzyl-3-pyrrolidinyl methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate (English)

19 September 2016

1 reference