2-[6-(5-azanylpentoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid

Systemtic Name: 2-[6-(5-azanylpentoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-(5-aminopentoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[6-(5-aminopentoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-(5-aminopentoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[6-(5-aminopentoxy)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C16H22N2O4 MolecularWeight: 306.35688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C2=C1C=C(C=C2)OCCCCCN)CC(=O)O

Isomeric SMILES

C1CN(C(=O)C2=C1C=C(C=C2)OCCCCCN)CC(=O)O

InChI

InChI=1S/C16H22N2O4/c17-7-2-1-3-9-22-13-4-5-14-12(10-13)6-8-18(16(14)21)11-15(19)20/h4-5,10H,1-3,6-9,11,17H2,(H,19,20)