3-(1-methylpiperidin-4-yl)-2-(1-oxidanylcyclohexyl)-2-phenyl-propanoate

Systemtic Name: 3-(1-methylpiperidin-4-yl)-2-(1-oxidanylcyclohexyl)-2-phenyl-propanoate Openeye Name: 2-(1-hydroxycyclohexyl)-3-(1-methyl-4-piperidyl)-2-phenyl-propanoate CAS Name: 2-(1-hydroxycyclohexyl)-3-(1-methyl-4-piperidinyl)-2-phenylpropanoate IUPAC Name: 2-(1-hydroxycyclohexyl)-3-(1-methylpiperidin-4-yl)-2-phenylpropanoate Traditional Name: 2-(1-hydroxycyclohexyl)-3-(1-methyl-4-piperidyl)-2-phenyl-propionate Formula: C21H30NO3- MolecularWeight: 344.4678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CC(C2=CC=CC=C2)(C(=O)[O-])C3(CCCCC3)O

Isomeric SMILES

CN1CCC(CC1)CC(C2=CC=CC=C2)(C(=O)[O-])C3(CCCCC3)O

InChI

InChI=1S/C21H31NO3/c1-22-14-10-17(11-15-22)16-21(19(23)24,18-8-4-2-5-9-18)20(25)12-6-3-7-13-20/h2,4-5,8-9,17,25H,3,6-7,10-16H2,1H3,(H,23,24)/p-1