2-[6-[2-(4-carbamimidoylphenyl)ethoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-[2-(4-carbamimidoylphenyl)ethoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-[2-(4-carbamimidoylphenyl)ethoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[6-[2-(4-carbamimidoylphenyl)ethoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-[2-(4-carbamimidoylphenyl)ethoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[6-[2-(4-amidinophenyl)ethoxy]-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCCC3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCCC3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C20H21N3O4/c21-19(22)14-3-1-13(2-4-14)8-10-27-16-5-6-17-15(11-16)7-9-23(20(17)26)12-18(24)25/h1-6,11H,7-10,12H2,(H3,21,22)(H,24,25)