2-[6-[(4-carbamimidoylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid CAS Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-[(4-carbamimidoylphenyl)methoxy]-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Traditional Name: 2-[6-(4-amidinobenzyl)oxy-3,4-dihydro-1H-isoquinolin-2-yl]acetic acid Formula: C19H21N3O3 MolecularWeight: 339.38834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(CC2=C1C=C(C=C2)OCC3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C19H21N3O3/c20-19(21)14-3-1-13(2-4-14)12-25-17-6-5-16-10-22(11-18(23)24)8-7-15(16)9-17/h1-6,9H,7-8,10-12H2,(H3,20,21)(H,23,24)