ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-phenethyl-amino]propanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-phenethyl-amino]propanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-phenethyl-amino]propanoyl]piperidine-3-carboxylate CAS Name: 1-[3-[[(3-methoxyanilino)-oxomethyl]-phenethylamino]-1-oxopropyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-phenethylamino]propanoyl]piperidine-3-carboxylate Traditional Name: 1-[3-[(3-methoxyphenyl)carbamoyl-phenethyl-amino]propanoyl]nipecotic acid ethyl ester Formula: C27H35N3O5 MolecularWeight: 481.5839

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=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CCN(CCC2=CC=CC=C2)C(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C27H35N3O5/c1-3-35-26(32)22-11-8-16-30(20-22)25(31)15-18-29(17-14-21-9-5-4-6-10-21)27(33)28-23-12-7-13-24(19-23)34-2/h4-7,9-10,12-13,19,22H,3,8,11,14-18,20H2,1-2H3,(H,28,33)