(phenylmethyl) 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-[(Z)-2-acetamido-3-(o-tolyl)prop-2-enoyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)-1-oxoprop-2-enyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(Z)-2-acetamido-3-(o-tolyl)acryloyl]-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1/C=C(/C(=O)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3)\NC(=O)C

InChI

InChI=1S/C25H27N3O5/c1-17-8-6-7-11-20(17)14-21(27-18(2)29)25(32)28-13-12-26-24(31)22(28)15-23(30)33-16-19-9-4-3-5-10-19/h3-11,14,22H,12-13,15-16H2,1-2H3,(H,26,31)(H,27,29)/b21-14-