2-(3,5-dimethylphenyl)-3-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]-1H-indole-5-carboxylic acid

Systemtic Name: 2-(3,5-dimethylphenyl)-3-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]-1H-indole-5-carboxylic acid Openeye Name: 2-(3,5-dimethylphenyl)-3-[2-[[4-(3-pyridyl)phenyl]methylamino]ethyl]-1H-indole-5-carboxylic acid CAS Name: 2-(3,5-dimethylphenyl)-3-[2-[[4-(3-pyridinyl)phenyl]methylamino]ethyl]-1H-indole-5-carboxylic acid IUPAC Name: 2-(3,5-dimethylphenyl)-3-[2-[(4-pyridin-3-ylphenyl)methylamino]ethyl]-1H-indole-5-carboxylic acid Traditional Name: 2-(3,5-dimethylphenyl)-3-[2-[[4-(3-pyridyl)benzyl]amino]ethyl]-1H-indole-5-carboxylic acid Formula: C31H29N3O2 MolecularWeight: 475.58086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCNCC4=CC=C(C=C4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)C(=O)O)CCNCC4=CC=C(C=C4)C5=CN=CC=C5)C

InChI

InChI=1S/C31H29N3O2/c1-20-14-21(2)16-26(15-20)30-27(28-17-24(31(35)36)9-10-29(28)34-30)11-13-33-18-22-5-7-23(8-6-22)25-4-3-12-32-19-25/h3-10,12,14-17,19,33-34H,11,13,18H2,1-2H3,(H,35,36)