3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-phenyl]-6-(propylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-phenyl]-6-(propylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-vinyl-phenyl]-6-(propylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)-oxomethyl]-4-ethenylphenyl]-6-[oxo(propylamino)methyl]-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenylphenyl]-6-(propylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinophenyl)carbamoyl]-4-vinyl-phenyl]-6-(propylcarbamoyl)picolinic acid Formula: C26H25N5O4 MolecularWeight: 471.5078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H25N5O4/c1-3-13-29-25(33)21-12-11-19(22(31-21)26(34)35)18-10-5-15(4-2)14-20(18)24(32)30-17-8-6-16(7-9-17)23(27)28/h4-12,14H,2-3,13H2,1H3,(H3,27,28)(H,29,33)(H,30,32)(H,34,35)