3-(3-carbamimidoylphenyl)-5-[(4-ethyl-3-oxidanyl-phenoxy)methyl]benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[(4-ethyl-3-oxidanyl-phenoxy)methyl]benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[(4-ethyl-3-hydroxy-phenoxy)methyl]benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[(4-ethyl-3-hydroxyphenoxy)methyl]benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[(4-ethyl-3-hydroxyphenoxy)methyl]benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-[(4-ethyl-3-hydroxy-phenoxy)methyl]benzoic acid Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)O

Isomeric SMILES

CCC1=C(C=C(C=C1)OCC2=CC(=CC(=C2)C(=O)O)C3=CC(=CC=C3)C(=N)N)O

InChI

InChI=1S/C23H22N2O4/c1-2-15-6-7-20(12-21(15)26)29-13-14-8-18(11-19(9-14)23(27)28)16-4-3-5-17(10-16)22(24)25/h3-12,26H,2,13H2,1H3,(H3,24,25)(H,27,28)