3-[(2-azanyl-4-methyl-phenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid

Systemtic Name: 3-[(2-azanyl-4-methyl-phenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid Openeye Name: 3-[(2-amino-4-methyl-phenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid CAS Name: 3-[(2-amino-4-methylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid IUPAC Name: 3-[(2-amino-4-methylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[(2-amino-4-methyl-phenoxy)methyl]benzoic acid Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)N

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)N

InChI

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