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

Systemtic Name: 2-[2-[[(4-carbamimidoylphenyl)amino]methyl]-4-methoxy-phenyl]benzoic acid Openeye Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methoxy-phenyl]benzoic acid CAS Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methoxyphenyl]benzoic acid IUPAC Name: 2-[2-[(4-carbamimidoylanilino)methyl]-4-methoxyphenyl]benzoic acid Traditional Name: 2-[2-[(4-amidinoanilino)methyl]-4-methoxy-phenyl]benzoic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)CNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC1=CC(=C(C=C1)C2=CC=CC=C2C(=O)O)CNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H21N3O3/c1-28-17-10-11-18(19-4-2-3-5-20(19)22(26)27)15(12-17)13-25-16-8-6-14(7-9-16)21(23)24/h2-12,25H,13H2,1H3,(H3,23,24)(H,26,27)