methyl 3-[2-[(2S)-3-oxidanylidene-1-(phenylcarbamoyl)piperazin-2-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[(2S)-3-oxidanylidene-1-(phenylcarbamoyl)piperazin-2-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(2S)-3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[(2S)-1-[anilino(oxo)methyl]-3-oxo-2-piperazinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(2S)-3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(2S)-3-keto-1-(phenylcarbamoyl)piperazin-2-yl]acetyl]amino]benzoic acid methyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CC2C(=O)NCCN2C(=O)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)C[C@H]2C(=O)NCCN2C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O5/c1-30-20(28)14-6-5-9-16(12-14)23-18(26)13-17-19(27)22-10-11-25(17)21(29)24-15-7-3-2-4-8-15/h2-9,12,17H,10-11,13H2,1H3,(H,22,27)(H,23,26)(H,24,29)/t17-/m0/s1