2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-phenyl]-5-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-phenyl]-5-[(4-oxidanyl-4-oxidanylidene-butyl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-vinyl-phenyl]-5-[(4-hydroxy-4-oxo-butyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenylphenyl]-5-[[(4-hydroxy-4-oxobutyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenylphenyl]-5-[(4-hydroxy-4-oxobutyl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-vinyl-phenyl]-5-[(4-hydroxy-4-keto-butyl)carbamoyl]benzoic acid Formula: C28H26N4O6 MolecularWeight: 514.52924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCCCC(=O)O)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C=CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NCCCC(=O)O)C(=O)O)C(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H26N4O6/c1-2-16-5-11-20(22(14-16)27(36)32-19-9-6-17(7-10-19)25(29)30)21-12-8-18(15-23(21)28(37)38)26(35)31-13-3-4-24(33)34/h2,5-12,14-15H,1,3-4,13H2,(H3,29,30)(H,31,35)(H,32,36)(H,33,34)(H,37,38)