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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-butoxy-5-propoxy-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-butoxy-5-propoxy-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-5-propoxy-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-butoxy-5-propoxy-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-5-propoxy-2H-chromene-3-carboxylic acid methyl ester Formula: C25H28O7 MolecularWeight: 440.48562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(OC2=C1C(=CC=C2)OCCC)C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CCCCOC1=C(C(OC2=C1C(=CC=C2)OCCC)C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C25H28O7/c1-4-6-13-29-24-21-18(28-12-5-2)8-7-9-19(21)32-23(22(24)25(26)27-3)16-10-11-17-20(14-16)31-15-30-17/h7-11,14,23H,4-6,12-13,15H2,1-3H3