2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-6-methyl-pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-6-methyl-pyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)methyl]-6-methyl-3-pyridyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)methyl]-6-methyl-3-pyridinyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)methyl]-6-methylpyridin-3-yl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-[(4-amidinoanilino)methyl]-6-methyl-3-pyridyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C26H29N5O3 MolecularWeight: 459.54016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O3/c1-15(2)13-30-25(32)18-7-11-20(22(12-18)26(33)34)21-10-4-16(3)31-23(21)14-29-19-8-5-17(6-9-19)24(27)28/h4-12,15,29H,13-14H2,1-3H3,(H3,27,28)(H,30,32)(H,33,34)