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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=N4)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CCC(CC1)C2=C(N(C3=C2C=CC(=C3)C(=O)O)CC4=CC=CC=N4)C5=CC=CC=C5.Cl

InChI

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