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

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-butoxy-2H-chromene-3-carboxylic acid methyl ester Formula: C22H22O6 MolecularWeight: 382.40648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(OC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CCCCOC1=C(C(OC2=CC=CC=C21)C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C22H22O6/c1-3-4-11-25-21-15-7-5-6-8-16(15)28-20(19(21)22(23)24-2)14-9-10-17-18(12-14)27-13-26-17/h5-10,12,20H,3-4,11,13H2,1-2H3