methyl 3-[2-[(2R)-3-oxidanylidene-1-(phenylcarbonyl)piperazin-2-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(2R)-3-oxidanylidene-1-(phenylcarbonyl)piperazin-2-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(2R)-1-benzoyl-3-oxo-piperazin-2-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[(2R)-1-benzoyl-3-oxo-2-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2R)-1-benzoyl-3-oxopiperazin-2-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(2R)-1-benzoyl-3-keto-piperazin-2-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C[C@@H]2C(=O)NCCN2C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O5/c1-29-21(28)15-8-5-9-16(12-15)23-18(25)13-17-19(26)22-10-11-24(17)20(27)14-6-3-2-4-7-14/h2-9,12,17H,10-11,13H2,1H3,(H,22,26)(H,23,25)/t17-/m1/s1