[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] (E)-3-(4-ethoxy-3-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxy-3-methoxyphenyl)-2-propenoic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-ethoxy-3-methoxy-phenyl)acrylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C=CC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C=C/C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)OC

InChI

InChI=1S/C25H29NO6/c1-5-31-22-12-6-18(15-23(22)30-4)7-13-25(29)32-16-21(27)19-8-10-20(11-9-19)26-24(28)14-17(2)3/h6-13,15,17H,5,14,16H2,1-4H3,(H,26,28)/b13-7+