3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-methyl-phenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid

Systemtic Name: 3-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-methyl-phenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Openeye Name: 3-[2-[(4-carbamimidoylanilino)methyl]-4-methyl-phenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid CAS Name: 3-[2-[(4-carbamimidoylanilino)methyl]-4-methylphenyl]-6-(methylcarbamoyl)-2-pyridinecarboxylic acid IUPAC Name: 3-[2-[(4-carbamimidoylanilino)methyl]-4-methylphenyl]-6-(methylcarbamoyl)pyridine-2-carboxylic acid Traditional Name: 3-[2-[(4-amidinoanilino)methyl]-4-methyl-phenyl]-6-(methylcarbamoyl)picolinic acid Formula: C23H23N5O3 MolecularWeight: 417.46042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C(N=C(C=C2)C(=O)NC)C(=O)O)CNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C(N=C(C=C2)C(=O)NC)C(=O)O)CNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H23N5O3/c1-13-3-8-17(18-9-10-19(22(29)26-2)28-20(18)23(30)31)15(11-13)12-27-16-6-4-14(5-7-16)21(24)25/h3-11,27H,12H2,1-2H3,(H3,24,25)(H,26,29)(H,30,31)