[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] (E)-3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C27H22N2O6 MolecularWeight: 470.47338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22N2O6/c1-17-8-10-22(32-2)21(12-17)29-26(30)25(19-6-4-3-5-7-19)35-27(31)20(15-28)13-18-9-11-23-24(14-18)34-16-33-23/h3-14,25H,16H2,1-2H3,(H,29,30)/b20-13+