2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-methoxycarbonylcyclopentyl)carbamoyl]benzoic acid

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-methoxycarbonylcyclopentyl)carbamoyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-methoxycarbonylcyclopentyl)carbamoyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[[(1-methoxycarbonylcyclopentyl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-[(1-methoxycarbonylcyclopentyl)carbamoyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-[(1-carbomethoxycyclopentyl)carbamoyl]benzoic acid Formula: C29H28N4O6 MolecularWeight: 528.55582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCC1)NC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)O

Isomeric SMILES

COC(=O)C1(CCCC1)NC(=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/C29H28N4O6/c1-39-28(38)29(14-4-5-15-29)33-25(34)18-10-13-21(23(16-18)27(36)37)20-6-2-3-7-22(20)26(35)32-19-11-8-17(9-12-19)24(30)31/h2-3,6-13,16H,4-5,14-15H2,1H3,(H3,30,31)(H,32,35)(H,33,34)(H,36,37)