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

Systemtic Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]propanoic acid Openeye Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid CAS Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid IUPAC Name: 3-[6-[(4-carbamimidoylphenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanoic acid Traditional Name: 3-[6-(4-amidinobenzyl)oxy-1-keto-3,4-dihydroisoquinolin-2-yl]propionic acid Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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