6-ethoxy-3-[1-oxidanylidene-6-(3-piperidin-4-ylpropoxy)-3,4-dihydroisoquinolin-2-yl]hexanoic acid

Systemtic Name: 6-ethoxy-3-[1-oxidanylidene-6-(3-piperidin-4-ylpropoxy)-3,4-dihydroisoquinolin-2-yl]hexanoic acid Openeye Name: 6-ethoxy-3-[1-oxo-6-[3-(4-piperidyl)propoxy]-3,4-dihydroisoquinolin-2-yl]hexanoic acid CAS Name: 6-ethoxy-3-[1-oxo-6-[3-(4-piperidinyl)propoxy]-3,4-dihydroisoquinolin-2-yl]hexanoic acid IUPAC Name: 6-ethoxy-3-[1-oxo-6-(3-piperidin-4-ylpropoxy)-3,4-dihydroisoquinolin-2-yl]hexanoic acid Traditional Name: 6-ethoxy-3-[1-keto-6-[3-(4-piperidyl)propoxy]-3,4-dihydroisoquinolin-2-yl]hexanoic acid Formula: C25H38N2O5 MolecularWeight: 446.57962

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCC(CC(=O)O)N1CCC2=C(C1=O)C=CC(=C2)OCCCC3CCNCC3

Isomeric SMILES

CCOCCCC(CC(=O)O)N1CCC2=C(C1=O)C=CC(=C2)OCCCC3CCNCC3

InChI

InChI=1S/C25H38N2O5/c1-2-31-15-4-6-21(18-24(28)29)27-14-11-20-17-22(7-8-23(20)25(27)30)32-16-3-5-19-9-12-26-13-10-19/h7-8,17,19,21,26H,2-6,9-16,18H2,1H3,(H,28,29)