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

Systemtic Name: 2-[6-(3-azanylpropoxy)-1-oxidanylidene-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[6-(3-aminopropoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[6-(3-aminopropoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[6-(3-aminopropoxy)-1-oxo-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[6-(3-aminopropoxy)-1-keto-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c15-5-1-7-20-11-2-3-12-10(8-11)4-6-16(14(12)19)9-13(17)18/h2-3,8H,1,4-7,9,15H2,(H,17,18)