2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-ethoxy-phenoxy]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-2-ethoxy-phenoxy]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethoxy-phenoxy]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-2-ethoxyphenoxy]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethoxyphenoxy]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-ethoxy-phenoxy]-1-piperidino-ethanone Formula: C25H30N2O4 MolecularWeight: 422.5167

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)OCC(=O)N4CCCCC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)N2CCC3=CC=CC=C3C2)OCC(=O)N4CCCCC4

InChI

InChI=1S/C25H30N2O4/c1-2-30-23-16-20(25(29)27-15-12-19-8-4-5-9-21(19)17-27)10-11-22(23)31-18-24(28)26-13-6-3-7-14-26/h4-5,8-11,16H,2-3,6-7,12-15,17-18H2,1H3