[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(2-phenylethanoylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-(2-phenylethanoylamino)propanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C22H25NO4 MolecularWeight: 367.4382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)CCNC(=O)CC2=CC=CC=C2)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)CCNC(=O)CC2=CC=CC=C2)C)C

InChI

InChI=1S/C22H25NO4/c1-15-11-17(3)19(12-16(15)2)20(24)14-27-22(26)9-10-23-21(25)13-18-7-5-4-6-8-18/h4-8,11-12H,9-10,13-14H2,1-3H3,(H,23,25)