3-[(2S)-2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propanoyl]oxybenzoic acid

Systemtic Name: 3-[(2S)-2-methyl-3-oxidanylidene-3-[(phenylmethyl)amino]propanoyl]oxybenzoic acid Openeye Name: 3-[(2S)-3-(benzylamino)-2-methyl-3-oxo-propanoyl]oxybenzoic acid CAS Name: 3-[(2S)-2-methyl-1,3-dioxo-3-[(phenylmethyl)amino]propoxy]benzoic acid IUPAC Name: 3-[(2S)-3-(benzylamino)-2-methyl-3-oxopropanoyl]oxybenzoic acid Traditional Name: 3-[(2S)-3-(benzylamino)-3-keto-2-methyl-propanoyl]oxybenzoic acid Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)C(=O)OC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CC=C1)C(=O)OC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H17NO5/c1-12(16(20)19-11-13-6-3-2-4-7-13)18(23)24-15-9-5-8-14(10-15)17(21)22/h2-10,12H,11H2,1H3,(H,19,20)(H,21,22)/t12-/m0/s1