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

Systemtic Name: ethyl 4-[(3S)-6-oxidanylidene-1-phenethyl-piperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-6-oxo-1-phenethyl-piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[oxo-[(3S)-6-oxo-1-phenethyl-3-piperidinyl]methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-6-oxo-1-phenethylpiperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-6-keto-1-phenethyl-nipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N3O4 MolecularWeight: 387.47266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCC(=O)N(C2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CCC(=O)N(C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O4/c1-2-28-21(27)23-14-12-22(13-15-23)20(26)18-8-9-19(25)24(16-18)11-10-17-6-4-3-5-7-17/h3-7,18H,2,8-16H2,1H3/t18-/m0/s1