methyl (2S)-2-(4-tert-butylphenyl)-2-piperidin-2-yl-ethanoate

Systemtic Name: methyl (2S)-2-(4-tert-butylphenyl)-2-piperidin-2-yl-ethanoate Openeye Name: methyl (2S)-2-(4-tert-butylphenyl)-2-(2-piperidyl)acetate CAS Name: (2S)-2-(4-tert-butylphenyl)-2-(2-piperidinyl)acetic acid methyl ester IUPAC Name: methyl (2S)-2-(4-tert-butylphenyl)-2-piperidin-2-ylacetate Traditional Name: (2S)-2-(4-tert-butylphenyl)-2-(2-piperidyl)acetic acid methyl ester Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(C2CCCCN2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@@H](C2CCCCN2)C(=O)OC

InChI

InChI=1S/C18H27NO2/c1-18(2,3)14-10-8-13(9-11-14)16(17(20)21-4)15-7-5-6-12-19-15/h8-11,15-16,19H,5-7,12H2,1-4H3/t15?,16-/m0/s1