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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(piperidin-4-ylmethylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(4-piperidylmethylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[oxo-(4-piperidinylmethylamino)methyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(piperidin-4-ylmethylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(4-piperidylmethylcarbamoyl)benzoic acid Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CNC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

C1CNCCC1CNC(=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/C28H29N5O4/c29-25(30)18-5-8-20(9-6-18)33-27(35)23-4-2-1-3-21(23)22-10-7-19(15-24(22)28(36)37)26(34)32-16-17-11-13-31-14-12-17/h1-10,15,17,31H,11-14,16H2,(H3,29,30)(H,32,34)(H,33,35)(H,36,37)