[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-keto-2-(veratrylamino)ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC)NC(=O)NC2=CC=CC=C2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC1=CC(=C(C=C1)OC)OC)NC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O6/c1-14(23-21(27)24-16-7-5-4-6-8-16)20(26)30-13-19(25)22-12-15-9-10-17(28-2)18(11-15)29-3/h4-11,14H,12-13H2,1-3H3,(H,22,25)(H2,23,24,27)/t14-/m0/s1