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

Systemtic Name: 2-phenoxyethyl 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: 2-phenoxyethyl 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 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 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 2-phenoxyethyl ester Formula: C26H29N3O6 MolecularWeight: 479.52496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1/C=C(/C(=O)N2CCNC(=O)C2CC(=O)OCCOC3=CC=CC=C3)\NC(=O)C

InChI

InChI=1S/C26H29N3O6/c1-18-8-6-7-9-20(18)16-22(28-19(2)30)26(33)29-13-12-27-25(32)23(29)17-24(31)35-15-14-34-21-10-4-3-5-11-21/h3-11,16,23H,12-15,17H2,1-2H3,(H,27,32)(H,28,30)/b22-16-