(2-methylphenyl) 2-[5-(diethylcarbamoyl)-1,3-benzodioxol-4-yl]-3,4,5-trimethoxy-benzoate

Systemtic Name: (2-methylphenyl) 2-[5-(diethylcarbamoyl)-1,3-benzodioxol-4-yl]-3,4,5-trimethoxy-benzoate Openeye Name: o-tolyl 2-[5-(diethylcarbamoyl)-1,3-benzodioxol-4-yl]-3,4,5-trimethoxy-benzoate CAS Name: 2-[5-[diethylamino(oxo)methyl]-1,3-benzodioxol-4-yl]-3,4,5-trimethoxybenzoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 2-[5-(diethylcarbamoyl)-1,3-benzodioxol-4-yl]-3,4,5-trimethoxybenzoate Traditional Name: 2-[5-(diethylcarbamoyl)-1,3-benzodioxol-4-yl]-3,4,5-trimethoxy-benzoic acid o-tolyl ester Formula: C29H31NO8 MolecularWeight: 521.55834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C2=C(C=C1)OCO2)C3=C(C(=C(C=C3C(=O)OC4=CC=CC=C4C)OC)OC)OC

Isomeric SMILES

CCN(CC)C(=O)C1=C(C2=C(C=C1)OCO2)C3=C(C(=C(C=C3C(=O)OC4=CC=CC=C4C)OC)OC)OC

InChI

InChI=1S/C29H31NO8/c1-7-30(8-2)28(31)18-13-14-21-25(37-16-36-21)23(18)24-19(15-22(33-4)26(34-5)27(24)35-6)29(32)38-20-12-10-9-11-17(20)3/h9-15H,7-8,16H2,1-6H3