1-[1-[2-(2-tert-butyl-6-methyl-phenoxy)ethanoyl]-4-phenyl-piperidin-4-yl]butan-1-one

Systemtic Name: 1-[1-[2-(2-tert-butyl-6-methyl-phenoxy)ethanoyl]-4-phenyl-piperidin-4-yl]butan-1-one Openeye Name: 1-[1-[2-(2-tert-butyl-6-methyl-phenoxy)acetyl]-4-phenyl-4-piperidyl]butan-1-one CAS Name: 1-[1-[2-(2-tert-butyl-6-methylphenoxy)-1-oxoethyl]-4-phenyl-4-piperidinyl]-1-butanone IUPAC Name: 1-[1-[2-(2-tert-butyl-6-methylphenoxy)acetyl]-4-phenylpiperidin-4-yl]butan-1-one Traditional Name: 1-[1-[2-(2-tert-butyl-6-methyl-phenoxy)acetyl]-4-phenyl-4-piperidyl]butan-1-one Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1(CCN(CC1)C(=O)COC2=C(C=CC=C2C(C)(C)C)C)C3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C1(CCN(CC1)C(=O)COC2=C(C=CC=C2C(C)(C)C)C)C3=CC=CC=C3

InChI

InChI=1S/C28H37NO3/c1-6-11-24(30)28(22-13-8-7-9-14-22)16-18-29(19-17-28)25(31)20-32-26-21(2)12-10-15-23(26)27(3,4)5/h7-10,12-15H,6,11,16-20H2,1-5H3