1-(1,3-benzodioxol-5-yl)-5-but-3-enoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-5-but-3-enoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-5-but-3-enoxy-3-(4-methoxyphenyl)indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-5-but-3-enoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-5-but-3-enoxy-3-(4-methoxyphenyl)-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-5-but-3-enoxy-3-(4-methoxyphenyl)indane-2-carboxylic acid Formula: C28H26O6 MolecularWeight: 458.50244

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(C3=C2C=C(C=C3)OCCC=C)C4=CC5=C(C=C4)OCO5)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(C3=C2C=C(C=C3)OCCC=C)C4=CC5=C(C=C4)OCO5)C(=O)O

InChI

InChI=1S/C28H26O6/c1-3-4-13-32-20-10-11-21-22(15-20)25(17-5-8-19(31-2)9-6-17)27(28(29)30)26(21)18-7-12-23-24(14-18)34-16-33-23/h3,5-12,14-15,25-27H,1,4,13,16H2,2H3,(H,29,30)