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

Systemtic Name: 2-[3-[[(4-carbamimidoylphenyl)amino]methyl]phenyl]-5-methyl-benzoic acid Openeye Name: 2-[3-[(4-carbamimidoylanilino)methyl]phenyl]-5-methyl-benzoic acid CAS Name: 2-[3-[(4-carbamimidoylanilino)methyl]phenyl]-5-methylbenzoic acid IUPAC Name: 2-[3-[(4-carbamimidoylanilino)methyl]phenyl]-5-methylbenzoic acid Traditional Name: 2-[3-[(4-amidinoanilino)methyl]phenyl]-5-methyl-benzoic acid Formula: C22H21N3O2 MolecularWeight: 359.42104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O2/c1-14-5-10-19(20(11-14)22(26)27)17-4-2-3-15(12-17)13-25-18-8-6-16(7-9-18)21(23)24/h2-12,25H,13H2,1H3,(H3,23,24)(H,26,27)