2,2-dibutyl-4-(quinolin-2-ylmethoxy)-3H-inden-1-one hydrochloride

Systemtic Name: 2,2-dibutyl-4-(quinolin-2-ylmethoxy)-3H-inden-1-one hydrochloride Openeye Name: 2,2-dibutyl-4-(2-quinolylmethoxy)indan-1-one hydrochloride CAS Name: 2,2-dibutyl-4-(2-quinolinylmethoxy)-3H-inden-1-one hydrochloride IUPAC Name: 2,2-dibutyl-4-(quinolin-2-ylmethoxy)-3H-inden-1-one hydrochloride Traditional Name: 2,2-dibutyl-4-(2-quinolylmethoxy)indan-1-one hydrochloride Formula: C27H32ClNO2 MolecularWeight: 438.00148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC2=C(C1=O)C=CC=C2OCC3=NC4=CC=CC=C4C=C3)CCCC.Cl

Isomeric SMILES

CCCCC1(CC2=C(C1=O)C=CC=C2OCC3=NC4=CC=CC=C4C=C3)CCCC.Cl

InChI

InChI=1S/C27H31NO2.ClH/c1-3-5-16-27(17-6-4-2)18-23-22(26(27)29)11-9-13-25(23)30-19-21-15-14-20-10-7-8-12-24(20)28-21;/h7-15H,3-6,16-19H2,1-2H3;1H