ethyl 1-[[5-[bis(phenylmethyl)carbamoyl]-1-methyl-pyrrol-2-yl]methyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[5-[bis(phenylmethyl)carbamoyl]-1-methyl-pyrrol-2-yl]methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[5-(dibenzylcarbamoyl)-1-methyl-pyrrol-2-yl]methyl]piperidine-4-carboxylate CAS Name: 1-[[5-[[bis(phenylmethyl)amino]-oxomethyl]-1-methyl-2-pyrrolyl]methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-(dibenzylcarbamoyl)-1-methylpyrrol-2-yl]methyl]piperidine-4-carboxylate Traditional Name: 1-[[5-(dibenzylcarbamoyl)-1-methyl-pyrrol-2-yl]methyl]isonipecotic acid ethyl ester Formula: C29H35N3O3 MolecularWeight: 473.6065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC=C(N2C)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC=C(N2C)C(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C29H35N3O3/c1-3-35-29(34)25-16-18-31(19-17-25)22-26-14-15-27(30(26)2)28(33)32(20-23-10-6-4-7-11-23)21-24-12-8-5-9-13-24/h4-15,25H,3,16-22H2,1-2H3