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

Systemtic Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(propylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(propylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)-oxomethyl]phenyl]-5-[oxo(propylamino)methyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylphenyl)carbamoyl]phenyl]-5-(propylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinophenyl)carbamoyl]phenyl]-5-(propylcarbamoyl)benzoic acid Formula: C25H24N4O4 MolecularWeight: 444.48246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=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/C25H24N4O4/c1-2-13-28-23(30)16-9-12-19(21(14-16)25(32)33)18-5-3-4-6-20(18)24(31)29-17-10-7-15(8-11-17)22(26)27/h3-12,14H,2,13H2,1H3,(H3,26,27)(H,28,30)(H,29,31)(H,32,33)