[(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(hydroxymethyl)benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 4-(hydroxymethyl)benzoate Openeye Name: [(1S)-2-anilino-1-methyl-2-oxo-ethyl] 4-(hydroxymethyl)benzoate CAS Name: 4-(hydroxymethyl)benzoic acid [(2S)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-anilino-1-oxopropan-2-yl] 4-(hydroxymethyl)benzoate Traditional Name: 4-methylolbenzoic acid [(1S)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CO

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1)OC(=O)C2=CC=C(C=C2)CO

InChI

InChI=1S/C17H17NO4/c1-12(16(20)18-15-5-3-2-4-6-15)22-17(21)14-9-7-13(11-19)8-10-14/h2-10,12,19H,11H2,1H3,(H,18,20)/t12-/m0/s1