[4-[2-(3-ethylphenyl)-3-fluoranyl-phenyl]-4-oxidanyl-4-(1-piperidin-4-ylcarbonylpiperidin-3-yl)butyl] N-methylcarbamate

Systemtic Name: [4-[2-(3-ethylphenyl)-3-fluoranyl-phenyl]-4-oxidanyl-4-(1-piperidin-4-ylcarbonylpiperidin-3-yl)butyl] N-methylcarbamate Openeye Name: [4-[2-(3-ethylphenyl)-3-fluoro-phenyl]-4-hydroxy-4-[1-(piperidine-4-carbonyl)-3-piperidyl]butyl] N-methylcarbamate CAS Name: N-methylcarbamic acid [4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-[1-[oxo(4-piperidinyl)methyl]-3-piperidinyl]butyl] ester IUPAC Name: [4-[2-(3-ethylphenyl)-3-fluorophenyl]-4-hydroxy-4-[1-(piperidine-4-carbonyl)piperidin-3-yl]butyl] N-methylcarbamate Traditional Name: N-methylcarbamic acid [4-[2-(3-ethylphenyl)-3-fluoro-phenyl]-4-hydroxy-4-(1-isonipecotoyl-3-piperidyl)butyl] ester Formula: C31H42FN3O4 MolecularWeight: 539.681283

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1)C2=C(C=CC=C2F)C(CCCOC(=O)NC)(C3CCCN(C3)C(=O)C4CCNCC4)O

Isomeric SMILES

CCC1=CC=CC(=C1)C2=C(C=CC=C2F)C(CCCOC(=O)NC)(C3CCCN(C3)C(=O)C4CCNCC4)O

InChI

InChI=1S/C31H42FN3O4/c1-3-22-8-4-9-24(20-22)28-26(11-5-12-27(28)32)31(38,15-7-19-39-30(37)33-2)25-10-6-18-35(21-25)29(36)23-13-16-34-17-14-23/h4-5,8-9,11-12,20,23,25,34,38H,3,6-7,10,13-19,21H2,1-2H3,(H,33,37)