4-[4-(dimethylaminomethyl)oxan-4-yl]-2-phenoxy-1-propyl-piperidine-4-carboxylic acid

Systemtic Name: 4-[4-(dimethylaminomethyl)oxan-4-yl]-2-phenoxy-1-propyl-piperidine-4-carboxylic acid Openeye Name: 4-[4-(dimethylaminomethyl)tetrahydropyran-4-yl]-2-phenoxy-1-propyl-piperidine-4-carboxylic acid CAS Name: 4-[4-(dimethylaminomethyl)-4-oxanyl]-2-phenoxy-1-propyl-4-piperidinecarboxylic acid IUPAC Name: 4-[4-(dimethylaminomethyl)oxan-4-yl]-2-phenoxy-1-propylpiperidine-4-carboxylic acid Traditional Name: 4-[4-(dimethylaminomethyl)tetrahydropyran-4-yl]-2-phenoxy-1-propyl-isonipecotic acid Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCC(CC1OC2=CC=CC=C2)(C(=O)O)C3(CCOCC3)CN(C)C

Isomeric SMILES

CCCN1CCC(CC1OC2=CC=CC=C2)(C(=O)O)C3(CCOCC3)CN(C)C

InChI

InChI=1S/C23H36N2O4/c1-4-13-25-14-10-23(21(26)27,17-20(25)29-19-8-6-5-7-9-19)22(18-24(2)3)11-15-28-16-12-22/h5-9,20H,4,10-18H2,1-3H3,(H,26,27)