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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4-ethoxy-4-oxidanylidene-butyl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4-ethoxy-4-oxo-butyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(4-ethoxy-4-oxobutyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(4-ethoxy-4-oxobutyl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(4-ethoxy-4-keto-butyl)carbamoyl]benzoic acid Formula: C28H28N4O6 MolecularWeight: 516.54512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28N4O6/c1-2-38-24(33)8-5-15-31-26(34)18-11-14-21(23(16-18)28(36)37)20-6-3-4-7-22(20)27(35)32-19-12-9-17(10-13-19)25(29)30/h3-4,6-7,9-14,16H,2,5,8,15H2,1H3,(H3,29,30)(H,31,34)(H,32,35)(H,36,37)