(E)-3-(1,3-benzodioxol-5-yl)-4-methoxycarbonyl-5-(4-methoxyphenyl)pent-4-enoic acid

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-4-methoxycarbonyl-5-(4-methoxyphenyl)pent-4-enoic acid Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-4-methoxycarbonyl-5-(4-methoxyphenyl)pent-4-enoic acid CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-4-methoxycarbonyl-5-(4-methoxyphenyl)-4-pentenoic acid IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-4-methoxycarbonyl-5-(4-methoxyphenyl)pent-4-enoic acid Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-4-carbomethoxy-5-(4-methoxyphenyl)pent-4-enoic acid Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C(CC(=O)O)C2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)/C=C(\C(CC(=O)O)C2=CC3=C(C=C2)OCO3)/C(=O)OC

InChI

InChI=1S/C21H20O7/c1-25-15-6-3-13(4-7-15)9-17(21(24)26-2)16(11-20(22)23)14-5-8-18-19(10-14)28-12-27-18/h3-10,16H,11-12H2,1-2H3,(H,22,23)/b17-9+