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

Systemtic Name: (2-methylphenyl) 3,4,5-trimethoxy-2-[5-(4-methylpiperazin-1-yl)carbonyl-1,3-benzodioxol-4-yl]benzoate Openeye Name: o-tolyl 3,4,5-trimethoxy-2-[5-(4-methylpiperazine-1-carbonyl)-1,3-benzodioxol-4-yl]benzoate CAS Name: 3,4,5-trimethoxy-2-[5-[(4-methyl-1-piperazinyl)-oxomethyl]-1,3-benzodioxol-4-yl]benzoic acid (2-methylphenyl) ester IUPAC Name: (2-methylphenyl) 3,4,5-trimethoxy-2-[5-(4-methylpiperazine-1-carbonyl)-1,3-benzodioxol-4-yl]benzoate Traditional Name: 3,4,5-trimethoxy-2-[5-(4-methylpiperazine-1-carbonyl)-1,3-benzodioxol-4-yl]benzoic acid o-tolyl ester Formula: C30H32N2O8 MolecularWeight: 548.58368

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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)N5CCN(CC5)C)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1OC(=O)C2=CC(=C(C(=C2C3=C(C=CC4=C3OCO4)C(=O)N5CCN(CC5)C)OC)OC)OC

InChI

InChI=1S/C30H32N2O8/c1-18-8-6-7-9-21(18)40-30(34)20-16-23(35-3)27(36-4)28(37-5)25(20)24-19(10-11-22-26(24)39-17-38-22)29(33)32-14-12-31(2)13-15-32/h6-11,16H,12-15,17H2,1-5H3