1-[2-(2-tert-butyl-5-methyl-phenoxy)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(2-tert-butyl-5-methyl-phenoxy)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-tert-butyl-5-methyl-phenoxy)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-tert-butyl-5-methylphenoxy)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-tert-butyl-5-methylphenoxy)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-tert-butyl-5-methyl-phenoxy)acetyl]isonipecotic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OCC(=O)N2CCC(CC2)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OCC(=O)N2CCC(CC2)C(=O)O

InChI

InChI=1S/C19H27NO4/c1-13-5-6-15(19(2,3)4)16(11-13)24-12-17(21)20-9-7-14(8-10-20)18(22)23/h5-6,11,14H,7-10,12H2,1-4H3,(H,22,23)