3-(3-carbamimidoylphenyl)-5-(2,3-dihydro-1H-isoindol-5-yloxymethyl)benzoic acid

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(2,3-dihydro-1H-isoindol-5-yloxymethyl)benzoic acid Openeye Name: 3-(3-carbamimidoylphenyl)-5-(isoindolin-5-yloxymethyl)benzoic acid CAS Name: 3-(3-carbamimidoylphenyl)-5-(2,3-dihydro-1H-isoindol-5-yloxymethyl)benzoic acid IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(2,3-dihydro-1H-isoindol-5-yloxymethyl)benzoic acid Traditional Name: 3-(3-amidinophenyl)-5-(isoindolin-5-yloxymethyl)benzoic acid Formula: C23H21N3O3 MolecularWeight: 387.43114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(CN1)C=C(C=C2)OCC3=CC(=CC(=C3)C(=O)O)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

C1C2=C(CN1)C=C(C=C2)OCC3=CC(=CC(=C3)C(=O)O)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C23H21N3O3/c24-22(25)16-3-1-2-15(8-16)18-6-14(7-19(9-18)23(27)28)13-29-21-5-4-17-11-26-12-20(17)10-21/h1-10,26H,11-13H2,(H3,24,25)(H,27,28)