3-[5-(3-chlorophenyl)pyridin-3-yl]-1-(1-piperidin-3-ylethyl)indole-4-carboxylic acid

Systemtic Name: 3-[5-(3-chlorophenyl)pyridin-3-yl]-1-(1-piperidin-3-ylethyl)indole-4-carboxylic acid Openeye Name: 3-[5-(3-chlorophenyl)-3-pyridyl]-1-[1-(3-piperidyl)ethyl]indole-4-carboxylic acid CAS Name: 3-[5-(3-chlorophenyl)-3-pyridinyl]-1-[1-(3-piperidinyl)ethyl]-4-indolecarboxylic acid IUPAC Name: 3-[5-(3-chlorophenyl)pyridin-3-yl]-1-(1-piperidin-3-ylethyl)indole-4-carboxylic acid Traditional Name: 3-[5-(3-chlorophenyl)-3-pyridyl]-1-[1-(3-piperidyl)ethyl]indole-4-carboxylic acid Formula: C27H26ClN3O2 MolecularWeight: 459.96724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCNC1)N2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CC(=CC=C5)Cl

Isomeric SMILES

CC(C1CCCNC1)N2C=C(C3=C(C=CC=C32)C(=O)O)C4=CN=CC(=C4)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C27H26ClN3O2/c1-17(19-6-4-10-29-13-19)31-16-24(26-23(27(32)33)8-3-9-25(26)31)21-11-20(14-30-15-21)18-5-2-7-22(28)12-18/h2-3,5,7-9,11-12,14-17,19,29H,4,6,10,13H2,1H3,(H,32,33)