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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(cyanomethoxy)-4-methoxy-phenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(cyanomethoxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(cyanomethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(cyanomethoxy)-4-methoxyphenyl]-5-propoxy-2,3-dihydro-1H-indene-2-carboxylic acid Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[2-(cyanomethoxy)-4-methoxy-phenyl]-5-propoxy-indane-2-carboxylic acid Formula: C29H27NO7 MolecularWeight: 501.52718

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)C(C(C2C3=C(C=C(C=C3)OC)OCC#N)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)OCC#N)C(=O)O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C29H27NO7/c1-3-11-34-19-6-7-20-22(14-19)27(21-8-5-18(33-2)15-24(21)35-12-10-30)28(29(31)32)26(20)17-4-9-23-25(13-17)37-16-36-23/h4-9,13-15,26-28H,3,11-12,16H2,1-2H3,(H,31,32)