[1-(4-methylpentyl)piperidin-4-yl] 2-cyclobutyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [1-(4-methylpentyl)piperidin-4-yl] 2-cyclobutyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (1-isohexyl-4-piperidyl) 2-cyclobutyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cyclobutyl-2-hydroxy-2-phenylacetic acid [1-(4-methylpentyl)-4-piperidinyl] ester IUPAC Name: [1-(4-methylpentyl)piperidin-4-yl] 2-cyclobutyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cyclobutyl-2-hydroxy-2-phenyl-acetic acid (1-isohexyl-4-piperidyl) ester Formula: C23H35NO3 MolecularWeight: 373.5289

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCN1CCC(CC1)OC(=O)C(C2CCC2)(C3=CC=CC=C3)O

Isomeric SMILES

CC(C)CCCN1CCC(CC1)OC(=O)C(C2CCC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C23H35NO3/c1-18(2)8-7-15-24-16-13-21(14-17-24)27-22(25)23(26,20-11-6-12-20)19-9-4-3-5-10-19/h3-5,9-10,18,20-21,26H,6-8,11-17H2,1-2H3