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

Systemtic Name: cyclohexyl 2-[1-[(Z)-2-acetamido-3-(2-methylphenyl)prop-2-enoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: cyclohexyl 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 cyclohexyl ester IUPAC Name: cyclohexyl 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 cyclohexyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C=C(C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3)NC(=O)C

Isomeric SMILES

CC1=CC=CC=C1/C=C(/C(=O)N2CCNC(=O)C2CC(=O)OC3CCCCC3)\NC(=O)C

InChI

InChI=1S/C24H31N3O5/c1-16-8-6-7-9-18(16)14-20(26-17(2)28)24(31)27-13-12-25-23(30)21(27)15-22(29)32-19-10-4-3-5-11-19/h6-9,14,19,21H,3-5,10-13,15H2,1-2H3,(H,25,30)(H,26,28)/b20-14-