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

Systemtic Name: [(2S)-1-oxidanylidene-1-(2,4,5-trimethylphenyl)propan-2-yl] 4-(2-azanyl-2-oxidanylidene-ethoxy)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 4-(2-amino-2-oxo-ethoxy)benzoate CAS Name: 4-(2-amino-2-oxoethoxy)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] 4-(2-amino-2-oxoethoxy)benzoate Traditional Name: 4-(2-amino-2-keto-ethoxy)benzoic acid [(1S)-2-keto-1-methyl-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5/c1-12-9-14(3)18(10-13(12)2)20(24)15(4)27-21(25)16-5-7-17(8-6-16)26-11-19(22)23/h5-10,15H,11H2,1-4H3,(H2,22,23)/t15-/m0/s1