3-azanyl-4-[[1-oxidanyl-1,3-bis(oxidanylidene)-3-phenyl-propan-2-yl]-phenyl-amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-oxidanyl-1,3-bis(oxidanylidene)-3-phenyl-propan-2-yl]-phenyl-amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-(N-(1-benzoyl-2-hydroxy-2-oxo-ethyl)anilino)-4-oxo-butanoic acid CAS Name: 3-amino-4-(N-(1-hydroxy-1,3-dioxo-3-phenylpropan-2-yl)anilino)-4-oxobutanoic acid IUPAC Name: 3-amino-4-(N-(1-hydroxy-1,3-dioxo-3-phenylpropan-2-yl)anilino)-4-oxobutanoic acid Traditional Name: 3-amino-4-(N-(1-benzoyl-2-hydroxy-2-keto-ethyl)anilino)-4-keto-butyric acid Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(=O)O)N(C2=CC=CC=C2)C(=O)C(CC(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(C(=O)O)N(C2=CC=CC=C2)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C19H18N2O6/c20-14(11-15(22)23)18(25)21(13-9-5-2-6-10-13)16(19(26)27)17(24)12-7-3-1-4-8-12/h1-10,14,16H,11,20H2,(H,22,23)(H,26,27)