methyl 2-[(2S)-3-oxidanylidene-1-(3-phenoxyphenyl)carbonyl-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[(2S)-3-oxidanylidene-1-(3-phenoxyphenyl)carbonyl-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-3-oxo-1-(3-phenoxybenzoyl)piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[oxo-(3-phenoxyphenyl)methyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-oxo-1-(3-phenoxybenzoyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(3-phenoxybenzoyl)piperazin-2-yl]acetic acid methyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCCN1C(=O)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O5/c1-26-18(23)13-17-19(24)21-10-11-22(17)20(25)14-6-5-9-16(12-14)27-15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3,(H,21,24)/t17-/m0/s1