1-[2-(2-tert-butyl-6-methyl-phenoxy)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(2-tert-butyl-6-methyl-phenoxy)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-tert-butyl-6-methyl-phenoxy)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-tert-butyl-6-methylphenoxy)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(2-tert-butyl-6-methylphenoxy)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-tert-butyl-6-methyl-phenoxy)acetyl]isonipecotic acid Formula: C19H27NO4 MolecularWeight: 333.42198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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