2-[2-(6-carbamimidoylpyridin-3-yl)phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[2-(6-carbamimidoylpyridin-3-yl)phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[2-(6-carbamimidoyl-3-pyridyl)phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[2-(6-carbamimidoyl-3-pyridinyl)phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[2-(6-carbamimidoylpyridin-3-yl)phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[2-(6-amidino-3-pyridyl)phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C24H24N4O3 MolecularWeight: 416.47236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C3=CN=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC=CC=C2C3=CN=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C24H24N4O3/c1-14(2)12-28-23(29)15-7-9-19(20(11-15)24(30)31)18-6-4-3-5-17(18)16-8-10-21(22(25)26)27-13-16/h3-11,13-14H,12H2,1-2H3,(H3,25,26)(H,28,29)(H,30,31)