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

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (3R)-3-acetamido-3-phenyl-propanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (3R)-3-acetamido-3-phenyl-propanoate CAS Name: (3R)-3-acetamido-3-phenylpropanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (3R)-3-acetamido-3-phenylpropanoate Traditional Name: (3R)-3-acetamido-3-phenyl-propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@H](CC(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC)C2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6/c1-15(25)24-18(17-7-5-4-6-8-17)12-22(27)30-14-21(26)23-13-16-9-10-19(28-2)20(11-16)29-3/h4-11,18H,12-14H2,1-3H3,(H,23,26)(H,24,25)/t18-/m1/s1