[1-butyl-2-methyl-3-[(1-phenethylpiperidin-4-yl)carbamoyl]indol-5-yl] benzoate hydrochloride

Systemtic Name: [1-butyl-2-methyl-3-[(1-phenethylpiperidin-4-yl)carbamoyl]indol-5-yl] benzoate hydrochloride Openeye Name: [1-butyl-2-methyl-3-[(1-phenethyl-4-piperidyl)carbamoyl]indol-5-yl] benzoate hydrochloride CAS Name: benzoic acid [1-butyl-2-methyl-3-[oxo-[(1-phenethyl-4-piperidinyl)amino]methyl]-5-indolyl] ester hydrochloride IUPAC Name: [1-butyl-2-methyl-3-[(1-phenethylpiperidin-4-yl)carbamoyl]indol-5-yl] benzoate hydrochloride Traditional Name: benzoic acid [1-butyl-2-methyl-3-[(1-phenethyl-4-piperidyl)carbamoyl]indol-5-yl] ester hydrochloride Formula: C34H40ClN3O3 MolecularWeight: 574.1527

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3)C(=O)NC4CCN(CC4)CCC5=CC=CC=C5)C.Cl

Isomeric SMILES

CCCCN1C(=C(C2=C1C=CC(=C2)OC(=O)C3=CC=CC=C3)C(=O)NC4CCN(CC4)CCC5=CC=CC=C5)C.Cl

InChI

InChI=1S/C34H39N3O3.ClH/c1-3-4-20-37-25(2)32(30-24-29(15-16-31(30)37)40-34(39)27-13-9-6-10-14-27)33(38)35-28-18-22-36(23-19-28)21-17-26-11-7-5-8-12-26;/h5-16,24,28H,3-4,17-23H2,1-2H3,(H,35,38);1H