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

Systemtic Name: 3-[(2-azanyl-5-chloranyl-4-methyl-phenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid Openeye Name: 3-[(2-amino-5-chloro-4-methyl-phenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid CAS Name: 3-[(2-amino-5-chloro-4-methylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid IUPAC Name: 3-[(2-amino-5-chloro-4-methylphenoxy)methyl]-5-(3-carbamimidoylphenyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[(2-amino-5-chloro-4-methyl-phenoxy)methyl]benzoic acid Formula: C22H20ClN3O3 MolecularWeight: 409.8655

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)N

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)N

InChI

InChI=1S/C22H20ClN3O3/c1-12-5-19(24)20(10-18(12)23)29-11-13-6-16(9-17(7-13)22(27)28)14-3-2-4-15(8-14)21(25)26/h2-10H,11,24H2,1H3,(H3,25,26)(H,27,28)