[(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [(2S)-1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-oxidanylidene-propan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-1-methyl-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [(2S)-1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [(1S)-2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-1-methyl-ethyl] ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)C(C)OC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@H](C)OC(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O4/c1-19-18-25(20(2)31(19)24-12-8-5-9-13-24)26(32)21(3)35-27(33)22-14-16-30(17-15-22)28(34)29-23-10-6-4-7-11-23/h4-13,18,21-22H,14-17H2,1-3H3,(H,29,34)/t21-/m0/s1