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

Systemtic Name: 2-[1-oxidanylidene-6-(4-piperidin-4-ylbutoxy)-3,4-dihydroisoquinolin-2-yl]ethanoic acid Openeye Name: 2-[1-oxo-6-[4-(4-piperidyl)butoxy]-3,4-dihydroisoquinolin-2-yl]acetic acid CAS Name: 2-[1-oxo-6-[4-(4-piperidinyl)butoxy]-3,4-dihydroisoquinolin-2-yl]acetic acid IUPAC Name: 2-[1-oxo-6-(4-piperidin-4-ylbutoxy)-3,4-dihydroisoquinolin-2-yl]acetic acid Traditional Name: 2-[1-keto-6-[4-(4-piperidyl)butoxy]-3,4-dihydroisoquinolin-2-yl]acetic acid Formula: C20H28N2O4 MolecularWeight: 360.44732

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCCOC2=CC3=C(C=C2)C(=O)N(CC3)CC(=O)O

Isomeric SMILES

C1CNCCC1CCCCOC2=CC3=C(C=C2)C(=O)N(CC3)CC(=O)O

InChI

InChI=1S/C20H28N2O4/c23-19(24)14-22-11-8-16-13-17(4-5-18(16)20(22)25)26-12-2-1-3-15-6-9-21-10-7-15/h4-5,13,15,21H,1-3,6-12,14H2,(H,23,24)