3-cyclohexyl-2-phenyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid hydrochloride

Systemtic Name: 3-cyclohexyl-2-phenyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid hydrochloride Openeye Name: 3-cyclohexyl-2-phenyl-1-(3-pyridylmethyl)indole-6-carboxylic acid hydrochloride CAS Name: 3-cyclohexyl-2-phenyl-1-(3-pyridinylmethyl)-6-indolecarboxylic acid hydrochloride IUPAC Name: 3-cyclohexyl-2-phenyl-1-(pyridin-3-ylmethyl)indole-6-carboxylic acid hydrochloride Traditional Name: 3-cyclohexyl-2-phenyl-1-(3-pyridylmethyl)indole-6-carboxylic acid hydrochloride Formula: C27H27ClN2O2 MolecularWeight: 446.96848

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CN=CC=C4)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CN=CC=C4)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H26N2O2.ClH/c30-27(31)22-13-14-23-24(16-22)29(18-19-8-7-15-28-17-19)26(21-11-5-2-6-12-21)25(23)20-9-3-1-4-10-20;/h2,5-8,11-17,20H,1,3-4,9-10,18H2,(H,30,31);1H