[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-benzamidobutanoate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-benzamidobutanoate CAS Name: 3-benzamidobutanoic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-benzamidobutanoate Traditional Name: 3-benzamidobutyric acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(CC(=O)OC(C)C(=O)NC1=CC(=C(C=C1)OC)OC)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6/c1-14(23-22(27)16-8-6-5-7-9-16)12-20(25)30-15(2)21(26)24-17-10-11-18(28-3)19(13-17)29-4/h5-11,13-15H,12H2,1-4H3,(H,23,27)(H,24,26)