4-[3-[(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)methyl]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one

Systemtic Name: 4-[3-[(4-chloranyl-5-methyl-2-propan-2-yl-phenoxy)methyl]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one Openeye Name: 4-[3-[(4-chloro-2-isopropyl-5-methyl-phenoxy)methyl]-1-piperidyl]-1-(4-fluorophenyl)butan-1-one CAS Name: 4-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]-1-piperidinyl]-1-(4-fluorophenyl)-1-butanone IUPAC Name: 4-[3-[(4-chloro-5-methyl-2-propan-2-ylphenoxy)methyl]piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one Traditional Name: 4-[3-[(4-chloro-2-isopropyl-5-methyl-phenoxy)methyl]piperidino]-1-(4-fluorophenyl)butan-1-one Formula: C26H33ClFNO2 MolecularWeight: 445.997123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OCC2CCCN(C2)CCCC(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OCC2CCCN(C2)CCCC(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C26H33ClFNO2/c1-18(2)23-15-24(27)19(3)14-26(23)31-17-20-6-4-12-29(16-20)13-5-7-25(30)21-8-10-22(28)11-9-21/h8-11,14-15,18,20H,4-7,12-13,16-17H2,1-3H3