ethyl 1-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl-phenethyl-amino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl-phenethyl-amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(2,6-diisopropylphenyl)carbamoyl-phenethyl-amino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[[[2,6-di(propan-2-yl)anilino]-oxomethyl]-phenethylamino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[[2,6-di(propan-2-yl)phenyl]carbamoyl-phenethylamino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(2,6-diisopropylphenyl)carbamoyl-phenethyl-amino]propanoyl]nipecotic acid ethyl ester Formula: C32H45N3O4 MolecularWeight: 535.7174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CCN(CCC2=CC=CC=C2)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN(CCC2=CC=CC=C2)C(=O)NC3=C(C=CC=C3C(C)C)C(C)C

InChI

InChI=1S/C32H45N3O4/c1-6-39-31(37)26-14-11-19-35(22-26)29(36)18-21-34(20-17-25-12-8-7-9-13-25)32(38)33-30-27(23(2)3)15-10-16-28(30)24(4)5/h7-10,12-13,15-16,23-24,26H,6,11,14,17-22H2,1-5H3,(H,33,38)