[2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(3-methylphenyl)prop-2-enoate Openeye Name: [2-[4-(butanoylamino)phenyl]-2-oxo-ethyl] (E)-3-(m-tolyl)prop-2-enoate CAS Name: (E)-3-(3-methylphenyl)-2-propenoic acid [2-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] (E)-3-(3-methylphenyl)prop-2-enoate Traditional Name: (E)-3-(m-tolyl)acrylic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C22H23NO4 MolecularWeight: 365.42232

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC(=CC=C2)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC(=CC=C2)C

InChI

InChI=1S/C22H23NO4/c1-3-5-21(25)23-19-11-9-18(10-12-19)20(24)15-27-22(26)13-8-17-7-4-6-16(2)14-17/h4,6-14H,3,5,15H2,1-2H3,(H,23,25)/b13-8+