3-cyclopropyl-1-[4-(2-methylphenoxy)-3-phenyl-piperidin-1-yl]hexan-1-one

Systemtic Name: 3-cyclopropyl-1-[4-(2-methylphenoxy)-3-phenyl-piperidin-1-yl]hexan-1-one Openeye Name: 3-cyclopropyl-1-[4-(2-methylphenoxy)-3-phenyl-1-piperidyl]hexan-1-one CAS Name: 3-cyclopropyl-1-[4-(2-methylphenoxy)-3-phenyl-1-piperidinyl]-1-hexanone IUPAC Name: 3-cyclopropyl-1-[4-(2-methylphenoxy)-3-phenylpiperidin-1-yl]hexan-1-one Traditional Name: 3-cyclopropyl-1-[4-(2-methylphenoxy)-3-phenyl-piperidino]hexan-1-one Formula: C27H35NO2 MolecularWeight: 405.5723

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)N1CCC(C(C1)C2=CC=CC=C2)OC3=CC=CC=C3C)C4CC4

Isomeric SMILES

CCCC(CC(=O)N1CCC(C(C1)C2=CC=CC=C2)OC3=CC=CC=C3C)C4CC4

InChI

InChI=1S/C27H35NO2/c1-3-9-23(21-14-15-21)18-27(29)28-17-16-26(30-25-13-8-7-10-20(25)2)24(19-28)22-11-5-4-6-12-22/h4-8,10-13,21,23-24,26H,3,9,14-19H2,1-2H3