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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-ethoxy-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-ethoxy-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-ethoxy-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-ethoxy-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-6-ethoxy-2H-chromene-3-carboxylic acid methyl ester Formula: C24H26O7 MolecularWeight: 426.45904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O7/c1-4-6-11-28-23-17-13-16(27-5-2)8-10-18(17)31-22(21(23)24(25)26-3)15-7-9-19-20(12-15)30-14-29-19/h7-10,12-13,22H,4-6,11,14H2,1-3H3