4-oxidanylidene-4-[[4-[N'-(phenylcarbonyl)carbamimidoyl]phenyl]amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[[4-[N'-(phenylcarbonyl)carbamimidoyl]phenyl]amino]butanoic acid Openeye Name: 4-[4-(N'-benzoylcarbamimidoyl)anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[amino(benzoylimino)methyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-(N'-benzoylcarbamimidoyl)anilino]-4-oxobutanoic acid Traditional Name: 4-[4-(N'-benzoylamidino)anilino]-4-keto-butyric acid Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O4/c19-17(21-18(25)13-4-2-1-3-5-13)12-6-8-14(9-7-12)20-15(22)10-11-16(23)24/h1-9H,10-11H2,(H,20,22)(H,23,24)(H2,19,21,25)