methyl 4-[(Z)-3-(1,3-benzodioxol-5-yl)-4-methoxy-4-oxidanylidene-2-(phenylmethyl)but-2-enoyl]benzoate

Systemtic Name: methyl 4-[(Z)-3-(1,3-benzodioxol-5-yl)-4-methoxy-4-oxidanylidene-2-(phenylmethyl)but-2-enoyl]benzoate Openeye Name: methyl 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-benzyl-4-methoxy-4-oxo-but-2-enoyl]benzoate CAS Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-4-methoxy-1,4-dioxo-2-(phenylmethyl)but-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-benzyl-4-methoxy-4-oxobut-2-enoyl]benzoate Traditional Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-benzyl-4-keto-4-methoxy-but-2-enoyl]benzoic acid methyl ester Formula: C27H22O7 MolecularWeight: 458.45938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)C(=C(C2=CC3=C(C=C2)OCO3)C(=O)OC)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)/C(=C(/C2=CC3=C(C=C2)OCO3)\C(=O)OC)/CC4=CC=CC=C4

InChI

InChI=1S/C27H22O7/c1-31-26(29)19-10-8-18(9-11-19)25(28)21(14-17-6-4-3-5-7-17)24(27(30)32-2)20-12-13-22-23(15-20)34-16-33-22/h3-13,15H,14,16H2,1-2H3/b24-21-