[(2S)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(4-phenoxyphenyl)amino]propan-2-yl] 1-(5-aminocarbonylpyridin-2-yl)piperidine-4-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(4-phenoxyanilino)ethyl] 1-(5-carbamoyl-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-carbamoyl-2-pyridinyl)-4-piperidinecarboxylic acid [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl] 1-(5-carbamoylpyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-carbamoyl-2-pyridyl)isonipecotic acid [(1S)-2-keto-1-methyl-2-(4-phenoxyanilino)ethyl] ester Formula: C27H28N4O5 MolecularWeight: 488.53502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)OC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(=O)N

InChI

InChI=1S/C27H28N4O5/c1-18(26(33)30-21-8-10-23(11-9-21)36-22-5-3-2-4-6-22)35-27(34)19-13-15-31(16-14-19)24-12-7-20(17-29-24)25(28)32/h2-12,17-19H,13-16H2,1H3,(H2,28,32)(H,30,33)/t18-/m0/s1