4-[(5-chloranyl-3-methyl-2-pyridin-3-yl-indol-1-yl)methyl]benzoic acid hydrochloride

Systemtic Name: 4-[(5-chloranyl-3-methyl-2-pyridin-3-yl-indol-1-yl)methyl]benzoic acid hydrochloride Openeye Name: 4-[[5-chloro-3-methyl-2-(3-pyridyl)indol-1-yl]methyl]benzoic acid hydrochloride CAS Name: 4-[[5-chloro-3-methyl-2-(3-pyridinyl)-1-indolyl]methyl]benzoic acid hydrochloride IUPAC Name: 4-[(5-chloro-3-methyl-2-pyridin-3-ylindol-1-yl)methyl]benzoic acid hydrochloride Traditional Name: 4-[[5-chloro-3-methyl-2-(3-pyridyl)indol-1-yl]methyl]benzoic acid hydrochloride Formula: C22H18Cl2N2O2 MolecularWeight: 413.29652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4.Cl

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)Cl)CC3=CC=C(C=C3)C(=O)O)C4=CN=CC=C4.Cl

InChI

InChI=1S/C22H17ClN2O2.ClH/c1-14-19-11-18(23)8-9-20(19)25(21(14)17-3-2-10-24-12-17)13-15-4-6-16(7-5-15)22(26)27;/h2-12H,13H2,1H3,(H,26,27);1H