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

Systemtic Name: 2-chloranyl-4-[ethyl-(2-methyl-2-oxidanyl-propyl)amino]-2,4,6-trimethyl-6-phenoxy-piperidine-3-carboxylic acid Openeye Name: 2-chloro-4-[ethyl-(2-hydroxy-2-methyl-propyl)amino]-2,4,6-trimethyl-6-phenoxy-piperidine-3-carboxylic acid CAS Name: 2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,4,6-trimethyl-6-phenoxy-3-piperidinecarboxylic acid IUPAC Name: 2-chloro-4-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,4,6-trimethyl-6-phenoxypiperidine-3-carboxylic acid Traditional Name: 2-chloro-4-[ethyl-(2-hydroxy-2-methyl-propyl)amino]-2,4,6-trimethyl-6-phenoxy-nipecotic acid Formula: C21H33ClN2O4 MolecularWeight: 412.95072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClN2O4/c1-7-24(14-18(2,3)27)19(4)13-20(5,28-15-11-9-8-10-12-15)23-21(6,22)16(19)17(25)26/h8-12,16,23,27H,7,13-14H2,1-6H3,(H,25,26)