methyl 1-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-(2-propoxyphenyl)-1,2-dihydroindene-2-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-yl)-3-oxidanyl-3-(2-propoxyphenyl)-1,2-dihydroindene-2-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-yl)-1-hydroxy-1-(2-propoxyphenyl)indane-2-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(2-propoxyphenyl)-1,2-dihydroindene-2-carboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-yl)-3-hydroxy-3-(2-propoxyphenyl)-1,2-dihydroindene-2-carboxylate Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-hydroxy-1-(2-propoxyphenyl)indane-2-carboxylic acid methyl ester Formula: C27H26O6 MolecularWeight: 446.49174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2(C(C(C3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)OC)O

Isomeric SMILES

CCCOC1=CC=CC=C1C2(C(C(C3=CC=CC=C32)C4=CC5=C(C=C4)OCO5)C(=O)OC)O

InChI

InChI=1S/C27H26O6/c1-3-14-31-21-11-7-6-10-20(21)27(29)19-9-5-4-8-18(19)24(25(27)26(28)30-2)17-12-13-22-23(15-17)33-16-32-22/h4-13,15,24-25,29H,3,14,16H2,1-2H3