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

Systemtic Name: ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxidanylidene-piperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxo-piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3S)-1-[(4-chlorophenyl)methyl]-6-oxo-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(4-chlorophenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-(4-chlorobenzyl)-6-keto-nipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26ClN3O4 MolecularWeight: 407.89114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CCC(=O)N(C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H26ClN3O4/c1-2-28-20(27)23-11-9-22(10-12-23)19(26)16-5-8-18(25)24(14-16)13-15-3-6-17(21)7-4-15/h3-4,6-7,16H,2,5,8-14H2,1H3/t16-/m0/s1