3-[4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]phenyl]benzoic acid

Systemtic Name: 3-[4-[[(2S)-2-acetamido-4-oxidanyl-4-oxidanylidene-butanoyl]amino]phenyl]benzoic acid Openeye Name: 3-[4-[[(2S)-2-acetamido-4-hydroxy-4-oxo-butanoyl]amino]phenyl]benzoic acid CAS Name: 3-[4-[[(2S)-2-acetamido-4-hydroxy-1,4-dioxobutyl]amino]phenyl]benzoic acid IUPAC Name: 3-[4-[[(2S)-2-acetamido-4-hydroxy-4-oxobutanoyl]amino]phenyl]benzoic acid Traditional Name: 3-[4-[[(2S)-2-acetamido-4-hydroxy-4-keto-butanoyl]amino]phenyl]benzoic acid Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)C(=O)NC1=CC=C(C=C1)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O6/c1-11(22)20-16(10-17(23)24)18(25)21-15-7-5-12(6-8-15)13-3-2-4-14(9-13)19(26)27/h2-9,16H,10H2,1H3,(H,20,22)(H,21,25)(H,23,24)(H,26,27)/t16-/m0/s1