methyl 1-[(3S)-6-oxidanylidene-1-(3-phenylpropyl)piperidin-3-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[(3S)-6-oxidanylidene-1-(3-phenylpropyl)piperidin-3-yl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[(3S)-6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[(3S)-6-oxo-1-(3-phenylpropyl)-3-piperidinyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3S)-6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(3S)-6-keto-1-(3-phenylpropyl)nipecotoyl]isonipecotic acid methyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2CCC(=O)N(C2)CCCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)[C@H]2CCC(=O)N(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O4/c1-28-22(27)18-11-14-23(15-12-18)21(26)19-9-10-20(25)24(16-19)13-5-8-17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3/t19-/m0/s1