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

Systemtic Name: propan-2-yl 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C(=O)N2CCNC(=O)C2CC(=O)OC(C)C)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O5/c1-13(2)29-19(26)12-18-20(27)22-9-10-24(18)21(28)17(23-15(4)25)11-16-8-6-5-7-14(16)3/h5-8,11,13,18H,9-10,12H2,1-4H3,(H,22,27)(H,23,25)/b17-11-