[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NC1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6/c1-14(24)22-17(15-7-5-4-6-8-15)12-21(26)29-13-20(25)23-16-9-10-18(27-2)19(11-16)28-3/h4-11,17H,12-13H2,1-3H3,(H,22,24)(H,23,25)/t17-/m1/s1