[(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(aminocarbonylamino)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(aminocarbonylamino)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-ureidobenzoate CAS Name: 3-(carbamoylamino)benzoic acid [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2,4,5-trimethylphenyl)propan-2-yl] 3-(carbamoylamino)benzoate Traditional Name: 3-ureidobenzoic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C20H22N2O4 MolecularWeight: 354.39968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)C(C)OC(=O)C2=CC(=CC=C2)NC(=O)N)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)NC(=O)N)C)C

InChI

InChI=1S/C20H22N2O4/c1-11-8-13(3)17(9-12(11)2)18(23)14(4)26-19(24)15-6-5-7-16(10-15)22-20(21)25/h5-10,14H,1-4H3,(H3,21,22,25)/t14-/m0/s1