ethyl 4-[[2-methyl-3-(pyridin-3-ylmethyl)indol-1-yl]methyl]benzoate hydrochloride

Systemtic Name: ethyl 4-[[2-methyl-3-(pyridin-3-ylmethyl)indol-1-yl]methyl]benzoate hydrochloride Openeye Name: ethyl 4-[[2-methyl-3-(3-pyridylmethyl)indol-1-yl]methyl]benzoate hydrochloride CAS Name: 4-[[2-methyl-3-(3-pyridinylmethyl)-1-indolyl]methyl]benzoic acid ethyl ester hydrochloride IUPAC Name: ethyl 4-[[2-methyl-3-(pyridin-3-ylmethyl)indol-1-yl]methyl]benzoate hydrochloride Traditional Name: 4-[[2-methyl-3-(3-pyridylmethyl)indol-1-yl]methyl]benzoic acid ethyl ester hydrochloride Formula: C25H25ClN2O2 MolecularWeight: 420.9312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C32)CC4=CN=CC=C4)C.Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=C(C3=CC=CC=C32)CC4=CN=CC=C4)C.Cl

InChI

InChI=1S/C25H24N2O2.ClH/c1-3-29-25(28)21-12-10-19(11-13-21)17-27-18(2)23(15-20-7-6-14-26-16-20)22-8-4-5-9-24(22)27;/h4-14,16H,3,15,17H2,1-2H3;1H