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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-phenyl]-5-(cyclopentylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-vinyl-phenyl]-5-(cyclopentylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenylphenyl]-5-[(cyclopentylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenylphenyl]-5-(cyclopentylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]-4-vinyl-phenyl]-5-(cyclopentylcarbamoyl)benzoic acid Formula: C29H28N4O4 MolecularWeight: 496.55702

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC3CCCC3)C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

C=CC1=CC(=C(C=C1)C2=C(C=C(C=C2)C(=O)NC3CCCC3)C(=O)O)C(=O)NC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C29H28N4O4/c1-2-17-7-13-22(24(15-17)28(35)33-21-11-8-18(9-12-21)26(30)31)23-14-10-19(16-25(23)29(36)37)27(34)32-20-5-3-4-6-20/h2,7-16,20H,1,3-6H2,(H3,30,31)(H,32,34)(H,33,35)(H,36,37)