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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclobutylmethylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclobutylmethylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[(cyclobutylmethylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(cyclobutylmethylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(cyclobutylmethylcarbamoyl)benzoic acid Formula: C27H26N4O4 MolecularWeight: 470.51974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)CNC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CC(C1)CNC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

InChI

InChI=1S/C27H26N4O4/c28-24(29)17-8-11-19(12-9-17)31-26(33)22-7-2-1-6-20(22)21-13-10-18(14-23(21)27(34)35)25(32)30-15-16-4-3-5-16/h1-2,6-14,16H,3-5,15H2,(H3,28,29)(H,30,32)(H,31,33)(H,34,35)