3-(1-methylpiperidin-3-yl)-2-(1-oxidanylcyclohexyl)-2-phenyl-propanoic acid

Systemtic Name: 3-(1-methylpiperidin-3-yl)-2-(1-oxidanylcyclohexyl)-2-phenyl-propanoic acid Openeye Name: 2-(1-hydroxycyclohexyl)-3-(1-methyl-3-piperidyl)-2-phenyl-propanoic acid CAS Name: 2-(1-hydroxycyclohexyl)-3-(1-methyl-3-piperidinyl)-2-phenylpropanoic acid IUPAC Name: 2-(1-hydroxycyclohexyl)-3-(1-methylpiperidin-3-yl)-2-phenylpropanoic acid Traditional Name: 2-(1-hydroxycyclohexyl)-3-(1-methyl-3-piperidyl)-2-phenyl-propionic acid Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)CC(C2=CC=CC=C2)(C(=O)O)C3(CCCCC3)O

Isomeric SMILES

CN1CCCC(C1)CC(C2=CC=CC=C2)(C(=O)O)C3(CCCCC3)O

InChI

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