ethyl 1-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(2S)-5-oxidanylidenepyrrolidin-2-yl]carbonyl-4-(3-phenylpropyl)piperidine-4-carboxylate Openeye Name: ethyl 1-[(2S)-5-oxopyrrolidine-2-carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate CAS Name: 1-[oxo-[(2S)-5-oxo-2-pyrrolidinyl]methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(2S)-5-oxopyrrolidine-2-carbonyl]-4-(3-phenylpropyl)piperidine-4-carboxylate Traditional Name: 1-[(2S)-5-ketoprolyl]-4-(3-phenylpropyl)isonipecotic acid ethyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCN(CC1)C(=O)C2CCC(=O)N2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(CCN(CC1)C(=O)[C@@H]2CCC(=O)N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O4/c1-2-28-21(27)22(12-6-9-17-7-4-3-5-8-17)13-15-24(16-14-22)20(26)18-10-11-19(25)23-18/h3-5,7-8,18H,2,6,9-16H2,1H3,(H,23,25)/t18-/m0/s1