2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexan-1-one

Systemtic Name: 2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexan-1-one Openeye Name: 2-butyl-1-[4-(2-quinolylmethoxy)phenyl]hexan-1-one CAS Name: 2-butyl-1-[4-(2-quinolinylmethoxy)phenyl]-1-hexanone IUPAC Name: 2-butyl-1-[4-(quinolin-2-ylmethoxy)phenyl]hexan-1-one Traditional Name: 2-butyl-1-[4-(2-quinolylmethoxy)phenyl]hexan-1-one Formula: C26H31NO2 MolecularWeight: 389.52984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)C(=O)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CCCCC(CCCC)C(=O)C1=CC=C(C=C1)OCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C26H31NO2/c1-3-5-9-21(10-6-4-2)26(28)22-14-17-24(18-15-22)29-19-23-16-13-20-11-7-8-12-25(20)27-23/h7-8,11-18,21H,3-6,9-10,19H2,1-2H3