1-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyl)-4-methoxy-phenyl]-5-propyl-2,3-dihydro-1H-indene-2-carboxylic acid

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyl)-4-methoxy-phenyl]-5-propyl-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyl)-4-methoxy-phenyl]-5-propyl-indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyl)-4-methoxyphenyl]-5-propyl-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyl)-4-methoxyphenyl]-5-propyl-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(2-carboxyethyl)-4-methoxy-phenyl]-5-propyl-indane-2-carboxylic acid Formula: C30H30O7 MolecularWeight: 502.555

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)CCC(=O)O)C(=O)O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)CCC(=O)O)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C30H30O7/c1-3-4-17-5-9-22-23(13-17)28(21-10-8-20(35-2)14-18(21)7-12-26(31)32)29(30(33)34)27(22)19-6-11-24-25(15-19)37-16-36-24/h5-6,8-11,13-15,27-29H,3-4,7,12,16H2,1-2H3,(H,31,32)(H,33,34)