3-(3-carbamimidoylphenyl)-5-(phenylmethoxymethyl)benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(phenylmethoxymethyl)benzoic acid Openeye Name: 3-(benzyloxymethyl)-5-(3-carbamimidoylphenyl)benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-(phenylmethoxymethyl)benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(phenylmethoxymethyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-(benzoxymethyl)benzoic acid Formula: C22H20N2O3 MolecularWeight: 360.4058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C22H20N2O3/c23-21(24)18-8-4-7-17(11-18)19-9-16(10-20(12-19)22(25)26)14-27-13-15-5-2-1-3-6-15/h1-12H,13-14H2,(H3,23,24)(H,25,26)