[2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(4-methylanilino)-2-oxo-1-phenyl-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(4-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(4-methylanilino)-2-oxo-1-phenylethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-keto-1-phenyl-2-(p-toluidino)ethyl] ester Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C=CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)/C=C/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H21NO5/c1-17-7-11-20(12-8-17)26-25(28)24(19-5-3-2-4-6-19)31-23(27)14-10-18-9-13-21-22(15-18)30-16-29-21/h2-15,24H,16H2,1H3,(H,26,28)/b14-10+