ethyl 1-[[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[[1-(2-amino-2-oxo-ethyl)indol-3-yl]methyl]-3-(o-tolylmethyl)piperidine-3-carboxylate CAS Name: 1-[[1-(2-amino-2-oxoethyl)-3-indolyl]methyl]-3-[(2-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[1-(2-amino-2-oxoethyl)indol-3-yl]methyl]-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate Traditional Name: 1-[[1-(2-amino-2-keto-ethyl)indol-3-yl]methyl]-3-(2-methylbenzyl)nipecotic acid ethyl ester Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)CC2=CN(C3=CC=CC=C32)CC(=O)N)CC4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)C1(CCCN(C1)CC2=CN(C3=CC=CC=C32)CC(=O)N)CC4=CC=CC=C4C

InChI

InChI=1S/C27H33N3O3/c1-3-33-26(32)27(15-21-10-5-4-9-20(21)2)13-8-14-29(19-27)16-22-17-30(18-25(28)31)24-12-7-6-11-23(22)24/h4-7,9-12,17H,3,8,13-16,18-19H2,1-2H3,(H2,28,31)