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

Systemtic Name: 3-phenylpropyl 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C27H31N3O5 MolecularWeight: 477.55214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1/C=C(/C(=O)N2CCNC(=O)C2CC(=O)OCCCC3=CC=CC=C3)\NC(=O)C

InChI

InChI=1S/C27H31N3O5/c1-19-9-6-7-13-22(19)17-23(29-20(2)31)27(34)30-15-14-28-26(33)24(30)18-25(32)35-16-8-12-21-10-4-3-5-11-21/h3-7,9-11,13,17,24H,8,12,14-16,18H2,1-2H3,(H,28,33)(H,29,31)/b23-17-