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

Systemtic Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-4-methoxy-4-oxidanylidene-2-(phenylmethyl)but-2-enoyl]benzoic acid Openeye Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-benzyl-4-methoxy-4-oxo-but-2-enoyl]benzoic acid CAS Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-4-methoxy-1,4-dioxo-2-(phenylmethyl)but-2-enyl]benzoic acid IUPAC Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-benzyl-4-methoxy-4-oxobut-2-enoyl]benzoic acid Traditional Name: 4-[(Z)-3-(1,3-benzodioxol-5-yl)-2-benzyl-4-keto-4-methoxy-but-2-enoyl]benzoic acid Formula: C26H20O7 MolecularWeight: 444.4328

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(CC1=CC=CC=C1)C(=O)C2=CC=C(C=C2)C(=O)O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)/C(=C(/CC1=CC=CC=C1)\C(=O)C2=CC=C(C=C2)C(=O)O)/C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C26H20O7/c1-31-26(30)23(19-11-12-21-22(14-19)33-15-32-21)20(13-16-5-3-2-4-6-16)24(27)17-7-9-18(10-8-17)25(28)29/h2-12,14H,13,15H2,1H3,(H,28,29)/b23-20-