3-(3-carbamimidoylphenyl)-5-[(2-ethanimidoyl-1,3-dihydroisoindol-5-yl)oxymethyl]benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-[(2-ethanimidoyl-1,3-dihydroisoindol-5-yl)oxymethyl]benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-[(2-ethanimidoylisoindolin-5-yl)oxymethyl]benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-[[2-(1-iminoethyl)-1,3-dihydroisoindol-5-yl]oxymethyl]benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-[(2-ethanimidoyl-1,3-dihydroisoindol-5-yl)oxymethyl]benzoic acid Traditional Name: 3-[(2-acetimidoylisoindolin-5-yl)oxymethyl]-5-(3-amidinophenyl)benzoic acid Formula: C25H24N4O3 MolecularWeight: 428.48306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CC2=C(C1)C=C(C=C2)OCC3=CC(=CC(=C3)C(=O)O)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CC(=N)N1CC2=C(C1)C=C(C=C2)OCC3=CC(=CC(=C3)C(=O)O)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C25H24N4O3/c1-15(26)29-12-19-5-6-23(11-22(19)13-29)32-14-16-7-20(10-21(8-16)25(30)31)17-3-2-4-18(9-17)24(27)28/h2-11,26H,12-14H2,1H3,(H3,27,28)(H,30,31)