3-[2-(5-ethylpyridin-2-yl)ethoxy]-2-hexanoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 3-[2-(5-ethylpyridin-2-yl)ethoxy]-2-hexanoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 3-[2-(5-ethyl-2-pyridyl)ethoxy]-2-hexanoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 3-[2-(5-ethyl-2-pyridinyl)ethoxy]-2-(1-oxohexyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 3-[2-(5-ethylpyridin-2-yl)ethoxy]-2-hexanoyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-caproyl-3-[2-(5-ethyl-2-pyridyl)ethoxy]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1C(CC2=CC=CC=C2C1C(=O)O)OCCC3=NC=C(C=C3)CC

Isomeric SMILES

CCCCCC(=O)N1C(CC2=CC=CC=C2C1C(=O)O)OCCC3=NC=C(C=C3)CC

InChI

InChI=1S/C25H32N2O4/c1-3-5-6-11-22(28)27-23(31-15-14-20-13-12-18(4-2)17-26-20)16-19-9-7-8-10-21(19)24(27)25(29)30/h7-10,12-13,17,23-24H,3-6,11,14-16H2,1-2H3,(H,29,30)