2-[3-[[(4-carbamimidoylphenyl)amino]methyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid

Systemtic Name: 2-[3-[[(4-carbamimidoylphenyl)amino]methyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylanilino)methyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)methyl]phenyl]-5-[(2-methylpropylamino)-oxomethyl]benzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylanilino)methyl]phenyl]-5-(2-methylpropylcarbamoyl)benzoic acid Traditional Name: 2-[3-[(4-amidinoanilino)methyl]phenyl]-5-(isobutylcarbamoyl)benzoic acid Formula: C26H28N4O3 MolecularWeight: 444.52552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)CNC3=CC=C(C=C3)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=CC(=CC=C2)CNC3=CC=C(C=C3)C(=N)N)C(=O)O

InChI

InChI=1S/C26H28N4O3/c1-16(2)14-30-25(31)20-8-11-22(23(13-20)26(32)33)19-5-3-4-17(12-19)15-29-21-9-6-18(7-10-21)24(27)28/h3-13,16,29H,14-15H2,1-2H3,(H3,27,28)(H,30,31)(H,32,33)