[2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(2-phenylethanoylamino)propanoate

Systemtic Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(2-phenylethanoylamino)propanoate Openeye Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxo-ethyl] 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid [2-[[(2,3-dimethylanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2,3-dimethylphenyl)carbamoylamino]-2-oxoethyl] 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid [2-[(2,3-dimethylphenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)CCNC(=O)CC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)NC(=O)COC(=O)CCNC(=O)CC2=CC=CC=C2)C

InChI

InChI=1S/C22H25N3O5/c1-15-7-6-10-18(16(15)2)24-22(29)25-20(27)14-30-21(28)11-12-23-19(26)13-17-8-4-3-5-9-17/h3-10H,11-14H2,1-2H3,(H,23,26)(H2,24,25,27,29)