methyl 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(4-cyclopentyloxyphenyl)-2H-chromene-3-carboxylate

Systemtic Name: methyl 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(4-cyclopentyloxyphenyl)-2H-chromene-3-carboxylate Openeye Name: methyl 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-[4-(cyclopentoxy)phenyl]-2H-chromene-3-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(4-cyclopentyloxyphenyl)-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-(4-cyclopentyloxyphenyl)-2H-chromene-3-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-6-butoxy-2-[4-(cyclopentoxy)phenyl]-2H-chromene-3-carboxylic acid methyl ester Formula: C33H34O7 MolecularWeight: 542.61886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)OC(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)OC)C5=CC=C(C=C5)OC6CCCC6

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)OC(C(=C2C3=CC4=C(C=C3)OCO4)C(=O)OC)C5=CC=C(C=C5)OC6CCCC6

InChI

InChI=1S/C33H34O7/c1-3-4-17-36-25-14-16-27-26(19-25)30(22-11-15-28-29(18-22)38-20-37-28)31(33(34)35-2)32(40-27)21-9-12-24(13-10-21)39-23-7-5-6-8-23/h9-16,18-19,23,32H,3-8,17,20H2,1-2H3