[1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [1-(2,5-dimethylphenyl)-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(2,5-dimethylphenyl)-1-methyl-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-(2,5-dimethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)CC(C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)C(C)OC(=O)CC(C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C21H24N2O4/c1-13-9-10-14(2)17(11-13)20(25)15(3)27-19(24)12-18(23-21(22)26)16-7-5-4-6-8-16/h4-11,15,18H,12H2,1-3H3,(H3,22,23,26)