3-[[3-(aminomethyl)phenyl]methoxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid

Systemtic Name: 3-[[3-(aminomethyl)phenyl]methoxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid Openeye Name: 3-[[3-(aminomethyl)phenyl]methoxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid CAS Name: 3-[[3-(aminomethyl)phenyl]methoxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid IUPAC Name: 3-[[3-(aminomethyl)phenyl]methoxymethyl]-5-(3-carbamimidoylphenyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[[3-(aminomethyl)benzyl]oxymethyl]benzoic acid Formula: C23H23N3O3 MolecularWeight: 389.44702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O3/c24-12-15-3-1-4-16(7-15)13-29-14-17-8-20(11-21(9-17)23(27)28)18-5-2-6-19(10-18)22(25)26/h1-11H,12-14,24H2,(H3,25,26)(H,27,28)