methyl 2-(1,3-benzodioxol-5-yl)-4-[butyl(methyl)amino]-6-propan-2-yloxy-2H-chromene-3-carboxylate

Systemtic Name: methyl 2-(1,3-benzodioxol-5-yl)-4-[butyl(methyl)amino]-6-propan-2-yloxy-2H-chromene-3-carboxylate Openeye Name: methyl 2-(1,3-benzodioxol-5-yl)-4-[butyl(methyl)amino]-6-isopropoxy-2H-chromene-3-carboxylate CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[butyl(methyl)amino]-6-propan-2-yloxy-2H-1-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(1,3-benzodioxol-5-yl)-4-[butyl(methyl)amino]-6-propan-2-yloxy-2H-chromene-3-carboxylate Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-[butyl(methyl)amino]-6-isopropoxy-2H-chromene-3-carboxylic acid methyl ester Formula: C26H31NO6 MolecularWeight: 453.52744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

CCCCN(C)C1=C(C(OC2=C1C=C(C=C2)OC(C)C)C3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C26H31NO6/c1-6-7-12-27(4)24-19-14-18(32-16(2)3)9-11-20(19)33-25(23(24)26(28)29-5)17-8-10-21-22(13-17)31-15-30-21/h8-11,13-14,16,25H,6-7,12,15H2,1-5H3