[1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(2-phenylethanoylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(2-phenylethanoylamino)propanoate Openeye Name: [1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-[(2-phenylacetyl)amino]propanoate CAS Name: 3-[(1-oxo-2-phenylethyl)amino]propanoic acid [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-[(2-phenylacetyl)amino]propanoate Traditional Name: 3-[(2-phenylacetyl)amino]propionic acid [2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H27NO4 MolecularWeight: 381.46478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4/c1-15-12-17(3)20(13-16(15)2)23(27)18(4)28-22(26)10-11-24-21(25)14-19-8-6-5-7-9-19/h5-9,12-13,18H,10-11,14H2,1-4H3,(H,24,25)