1-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-(3-methyl-4-propan-2-yl-phenoxy)ethanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(3-methyl-4-propan-2-ylphenoxy)-1-oxoethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-(3-methyl-4-propan-2-ylphenoxy)acetyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(4-isopropyl-3-methyl-phenoxy)acetyl]isonipecotic acid Formula: C18H25NO4 MolecularWeight: 319.3954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO4/c1-12(2)16-5-4-15(10-13(16)3)23-11-17(20)19-8-6-14(7-9-19)18(21)22/h4-5,10,12,14H,6-9,11H2,1-3H3,(H,21,22)