3-(1,3-benzodioxol-5-yl)-3-phenyl-6-propoxy-1,2-dihydroindene-2-carboxylic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-6-propoxy-1,2-dihydroindene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-1-phenyl-5-propoxy-indane-2-carboxylic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-6-propoxy-1,2-dihydroindene-2-carboxylic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-phenyl-6-propoxy-1,2-dihydroindene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-1-phenyl-5-propoxy-indane-2-carboxylic acid Formula: C26H24O5 MolecularWeight: 416.46576

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2)C(=O)O)(C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCOC1=CC2=C(C=C1)C(C(C2)C(=O)O)(C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H24O5/c1-2-12-29-20-9-10-21-17(13-20)14-22(25(27)28)26(21,18-6-4-3-5-7-18)19-8-11-23-24(15-19)31-16-30-23/h3-11,13,15,22H,2,12,14,16H2,1H3,(H,27,28)