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

Systemtic Name: (2-methylphenyl) 2-[5-(2-hydroxyethylcarbamoyl)-1,3-benzodioxol-4-yl]-3,4,5-trimethoxy-benzoate Openeye Name: o-tolyl 2-[5-(2-hydroxyethylcarbamoyl)-1,3-benzodioxol-4-yl]-3,4,5-trimethoxy-benzoate CAS Name: 2-[5-[(2-hydroxyethylamino)-oxomethyl]-1,3-benzodioxol-4-yl]-3,4,5-trimethoxybenzoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 2-[5-(2-hydroxyethylcarbamoyl)-1,3-benzodioxol-4-yl]-3,4,5-trimethoxybenzoate Traditional Name: 2-[5-(2-hydroxyethylcarbamoyl)-1,3-benzodioxol-4-yl]-3,4,5-trimethoxy-benzoic acid o-tolyl ester Formula: C27H27NO9 MolecularWeight: 509.50458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC(=O)C2=CC(=C(C(=C2C3=C(C=CC4=C3OCO4)C(=O)NCCO)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=CC(=C(C(=C2C3=C(C=CC4=C3OCO4)C(=O)NCCO)OC)OC)OC

InChI

InChI=1S/C27H27NO9/c1-15-7-5-6-8-18(15)37-27(31)17-13-20(32-2)24(33-3)25(34-4)22(17)21-16(26(30)28-11-12-29)9-10-19-23(21)36-14-35-19/h5-10,13,29H,11-12,14H2,1-4H3,(H,28,30)