ethyl 1-[2-[3-[cyclopropylcarbonyl-(phenylmethyl)amino]phenyl]ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-[3-[cyclopropylcarbonyl-(phenylmethyl)amino]phenyl]ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-[3-[benzyl(cyclopropanecarbonyl)amino]phenyl]acetyl]piperidine-3-carboxylate CAS Name: 1-[2-[3-[[cyclopropyl(oxo)methyl]-(phenylmethyl)amino]phenyl]-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[3-[benzyl(cyclopropanecarbonyl)amino]phenyl]acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-[3-[benzyl(cyclopropanecarbonyl)amino]phenyl]acetyl]nipecotic acid ethyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CC2=CC(=CC=C2)N(CC3=CC=CC=C3)C(=O)C4CC4

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CC2=CC(=CC=C2)N(CC3=CC=CC=C3)C(=O)C4CC4

InChI

InChI=1S/C27H32N2O4/c1-2-33-27(32)23-11-7-15-28(19-23)25(30)17-21-10-6-12-24(16-21)29(26(31)22-13-14-22)18-20-8-4-3-5-9-20/h3-6,8-10,12,16,22-23H,2,7,11,13-15,17-19H2,1H3