ethyl 4-[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxidanylidene-piperidin-3-yl]carbonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxidanylidene-piperidin-3-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-piperidine-3-carbonyl]piperazine-1-carboxylate CAS Name: 4-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxo-3-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-6-keto-1-o-anisyl-nipecotoyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H29N3O5 MolecularWeight: 403.47206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCC(=O)N(C2)CC3=CC=CC=C3OC

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)[C@H]2CCC(=O)N(C2)CC3=CC=CC=C3OC

InChI

InChI=1S/C21H29N3O5/c1-3-29-21(27)23-12-10-22(11-13-23)20(26)17-8-9-19(25)24(15-17)14-16-6-4-5-7-18(16)28-2/h4-7,17H,3,8-15H2,1-2H3/t17-/m0/s1