2-[2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]phenyl]benzoic acid

Systemtic Name: 2-[2-[1-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-2-oxidanylidene-ethyl]phenyl]benzoic acid Openeye Name: 2-[2-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxo-ethyl]phenyl]benzoic acid CAS Name: 2-[2-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]phenyl]benzoic acid IUPAC Name: 2-[2-[1-(4-carbamimidoylanilino)-2-hydroxy-2-oxoethyl]phenyl]benzoic acid Traditional Name: 2-[2-[1-(4-amidinoanilino)-2-hydroxy-2-keto-ethyl]phenyl]benzoic acid Formula: C22H19N3O4 MolecularWeight: 389.40396

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(C(=O)O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H19N3O4/c23-20(24)13-9-11-14(12-10-13)25-19(22(28)29)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21(26)27/h1-12,19,25H,(H3,23,24)(H,26,27)(H,28,29)