[(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-acetamidobenzoate

Systemtic Name: [(2S)-1-(4-ethoxyphenyl)-1-oxidanylidene-propan-2-yl] 3-acetamidobenzoate Openeye Name: [(1S)-2-(4-ethoxyphenyl)-1-methyl-2-oxo-ethyl] 3-acetamidobenzoate CAS Name: 3-acetamidobenzoic acid [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 3-acetamidobenzoate Traditional Name: 3-acetamidobenzoic acid [(1S)-2-keto-1-methyl-2-p-phenetyl-ethyl] ester Formula: C20H21NO5 MolecularWeight: 355.38444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC(=CC=C2)NC(=O)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC(=CC=C2)NC(=O)C

InChI

InChI=1S/C20H21NO5/c1-4-25-18-10-8-15(9-11-18)19(23)13(2)26-20(24)16-6-5-7-17(12-16)21-14(3)22/h5-13H,4H2,1-3H3,(H,21,22)/t13-/m0/s1