2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(hexylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(hexylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(hexylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(hexylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(hexylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(hexylcarbamoyl)benzoic acid Formula: C28H30N4O4 MolecularWeight: 486.5622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCNC(=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/C28H30N4O4/c1-2-3-4-7-16-31-26(33)19-12-15-22(24(17-19)28(35)36)21-8-5-6-9-23(21)27(34)32-20-13-10-18(11-14-20)25(29)30/h5-6,8-15,17H,2-4,7,16H2,1H3,(H3,29,30)(H,31,33)(H,32,34)(H,35,36)