1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-2-prop-2-enyl-phenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-2-prop-2-enyl-phenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 3-(2-allyl-4-methoxy-phenyl)-1-(1,3-benzodioxol-5-yl)-5-propoxy-indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-2-prop-2-enylphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-2-prop-2-enylphenyl)-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 3-(2-allyl-4-methoxy-phenyl)-1-(1,3-benzodioxol-5-yl)-5-propoxy-indane-2-carboxylic acid Formula: C30H30O6 MolecularWeight: 486.5556

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)CC=C)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)CC=C)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H30O6/c1-4-6-18-14-20(33-3)8-10-22(18)28-24-16-21(34-13-5-2)9-11-23(24)27(29(28)30(31)32)19-7-12-25-26(15-19)36-17-35-25/h4,7-12,14-16,27-29H,1,5-6,13,17H2,2-3H3,(H,31,32)