ethyl 4-[(3S)-6-oxidanylidene-1-(3-phenylpropyl)piperidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-6-oxidanylidene-1-(3-phenylpropyl)piperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[(3S)-6-oxo-1-(3-phenylpropyl)-3-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-6-oxo-1-(3-phenylpropyl)piperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-6-keto-1-(3-phenylpropyl)nipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCC(=O)N(C2)CCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CCC(=O)N(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H31N3O4/c1-2-29-22(28)24-15-13-23(14-16-24)21(27)19-10-11-20(26)25(17-19)12-6-9-18-7-4-3-5-8-18/h3-5,7-8,19H,2,6,9-17H2,1H3/t19-/m0/s1