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

Systemtic Name: 5-(butylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Openeye Name: 5-(butylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid CAS Name: 5-[butylamino(oxo)methyl]-2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]benzoic acid IUPAC Name: 5-(butylcarbamoyl)-2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(butylcarbamoyl)benzoic acid Formula: C26H26N4O4 MolecularWeight: 458.50904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCNC(=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/C26H26N4O4/c1-2-3-14-29-24(31)17-10-13-20(22(15-17)26(33)34)19-6-4-5-7-21(19)25(32)30-18-11-8-16(9-12-18)23(27)28/h4-13,15H,2-3,14H2,1H3,(H3,27,28)(H,29,31)(H,30,32)(H,33,34)