(3S)-1-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]piperidine-3-carboxylic acid

Systemtic Name: (3S)-1-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-oxidanyl-propyl]piperidine-3-carboxylic acid Openeye Name: (3S)-1-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]piperidine-3-carboxylic acid CAS Name: (3S)-1-[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]-3-piperidinecarboxylic acid IUPAC Name: (3S)-1-[(2S)-3-(2-tert-butyl-4-methoxyphenoxy)-2-hydroxypropyl]piperidine-3-carboxylic acid Traditional Name: (3S)-1-[(2S)-3-(2-tert-butyl-4-methoxy-phenoxy)-2-hydroxy-propyl]nipecotic acid Formula: C20H31NO5 MolecularWeight: 365.46384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)OC)OCC(CN2CCCC(C2)C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)OC)OC[C@H](CN2CCC[C@@H](C2)C(=O)O)O

InChI

InChI=1S/C20H31NO5/c1-20(2,3)17-10-16(25-4)7-8-18(17)26-13-15(22)12-21-9-5-6-14(11-21)19(23)24/h7-8,10,14-15,22H,5-6,9,11-13H2,1-4H3,(H,23,24)/t14-,15-/m0/s1