3-[2-hydroxyethyl-(phenylmethyl)amino]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one

Systemtic Name: 3-[2-hydroxyethyl-(phenylmethyl)amino]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one Openeye Name: 3-[benzyl(2-hydroxyethyl)amino]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one CAS Name: 3-[2-hydroxyethyl-(phenylmethyl)amino]-1-(2,6,6-trimethyl-1-cyclohex-3-enyl)-1-butanone IUPAC Name: 3-[benzyl(2-hydroxyethyl)amino]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one Traditional Name: 3-[benzyl(2-hydroxyethyl)amino]-1-(2,6,6-trimethylcyclohex-3-en-1-yl)butan-1-one Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CCC(C1C(=O)CC(C)N(CCO)CC2=CC=CC=C2)(C)C

Isomeric SMILES

CC1C=CCC(C1C(=O)CC(C)N(CCO)CC2=CC=CC=C2)(C)C

InChI

InChI=1S/C22H33NO2/c1-17-9-8-12-22(3,4)21(17)20(25)15-18(2)23(13-14-24)16-19-10-6-5-7-11-19/h5-11,17-18,21,24H,12-16H2,1-4H3