dimethyl 2-[[3-methyl-4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]hexanedioate

Systemtic Name: dimethyl 2-[[3-methyl-4-[methyl(phenylmethoxycarbonyl)amino]phenyl]carbonylamino]hexanedioate Openeye Name: dimethyl 2-[[4-[benzyloxycarbonyl(methyl)amino]-3-methyl-benzoyl]amino]hexanedioate CAS Name: 2-[[[3-methyl-4-[methyl(phenylmethoxycarbonyl)amino]phenyl]-oxomethyl]amino]hexanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[3-methyl-4-[methyl(phenylmethoxycarbonyl)amino]benzoyl]amino]hexanedioate Traditional Name: 2-[[4-[carbobenzoxy(methyl)amino]-3-methyl-benzoyl]amino]adipic acid dimethyl ester Formula: C25H30N2O7 MolecularWeight: 470.5149

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CCCC(=O)OC)C(=O)OC)N(C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC(CCCC(=O)OC)C(=O)OC)N(C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H30N2O7/c1-17-15-19(23(29)26-20(24(30)33-4)11-8-12-22(28)32-3)13-14-21(17)27(2)25(31)34-16-18-9-6-5-7-10-18/h5-7,9-10,13-15,20H,8,11-12,16H2,1-4H3,(H,26,29)