[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate CAS Name: 1-[anilino(oxo)methyl]-4-piperidinecarboxylic acid [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl] 1-(phenylcarbamoyl)piperidine-4-carboxylate Traditional Name: 1-(phenylcarbamoyl)isonipecotic acid [2-keto-2-[(3S)-3-methylpiperidino]ethyl] ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)COC(=O)C2CCN(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4/c1-16-6-5-11-24(14-16)19(25)15-28-20(26)17-9-12-23(13-10-17)21(27)22-18-7-3-2-4-8-18/h2-4,7-8,16-17H,5-6,9-15H2,1H3,(H,22,27)/t16-/m0/s1