2-chloranyl-4-[ethyl(2-oxidanylpropyl)amino]-2,4,6-trimethyl-6-phenoxy-piperidine-3-carboxylic acid

Systemtic Name: 2-chloranyl-4-[ethyl(2-oxidanylpropyl)amino]-2,4,6-trimethyl-6-phenoxy-piperidine-3-carboxylic acid Openeye Name: 2-chloro-4-[ethyl(2-hydroxypropyl)amino]-2,4,6-trimethyl-6-phenoxy-piperidine-3-carboxylic acid CAS Name: 2-chloro-4-[ethyl(2-hydroxypropyl)amino]-2,4,6-trimethyl-6-phenoxy-3-piperidinecarboxylic acid IUPAC Name: 2-chloro-4-[ethyl(2-hydroxypropyl)amino]-2,4,6-trimethyl-6-phenoxypiperidine-3-carboxylic acid Traditional Name: 2-chloro-4-[ethyl(2-hydroxypropyl)amino]-2,4,6-trimethyl-6-phenoxy-nipecotic acid Formula: C20H31ClN2O4 MolecularWeight: 398.92414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(C)O)C1(CC(NC(C1C(=O)O)(C)Cl)(C)OC2=CC=CC=C2)C

Isomeric SMILES

CCN(CC(C)O)C1(CC(NC(C1C(=O)O)(C)Cl)(C)OC2=CC=CC=C2)C

InChI

InChI=1S/C20H31ClN2O4/c1-6-23(12-14(2)24)18(3)13-19(4,27-15-10-8-7-9-11-15)22-20(5,21)16(18)17(25)26/h7-11,14,16,22,24H,6,12-13H2,1-5H3,(H,25,26)