[4-[2-[(2-fluoranyl-4-methyl-phenyl)methyl]phenyl]-1-methyl-piperidin-4-yl] benzoate

Systemtic Name: [4-[2-[(2-fluoranyl-4-methyl-phenyl)methyl]phenyl]-1-methyl-piperidin-4-yl] benzoate Openeye Name: [4-[2-[(2-fluoro-4-methyl-phenyl)methyl]phenyl]-1-methyl-4-piperidyl] benzoate CAS Name: benzoic acid [4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methyl-4-piperidinyl] ester IUPAC Name: [4-[2-[(2-fluoro-4-methylphenyl)methyl]phenyl]-1-methylpiperidin-4-yl] benzoate Traditional Name: benzoic acid [4-[2-(2-fluoro-4-methyl-benzyl)phenyl]-1-methyl-4-piperidyl] ester Formula: C27H28FNO2 MolecularWeight: 417.515123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2=CC=CC=C2C3(CCN(CC3)C)OC(=O)C4=CC=CC=C4)F

Isomeric SMILES

CC1=CC(=C(C=C1)CC2=CC=CC=C2C3(CCN(CC3)C)OC(=O)C4=CC=CC=C4)F

InChI

InChI=1S/C27H28FNO2/c1-20-12-13-23(25(28)18-20)19-22-10-6-7-11-24(22)27(14-16-29(2)17-15-27)31-26(30)21-8-4-3-5-9-21/h3-13,18H,14-17,19H2,1-2H3