1-[4-(2,2-dimethylpropyl)phenyl]-4-(4-oxidanylpiperidin-1-yl)butan-1-one; (phenylmethyl)benzene

Systemtic Name: 1-[4-(2,2-dimethylpropyl)phenyl]-4-(4-oxidanylpiperidin-1-yl)butan-1-one; (phenylmethyl)benzene Openeye Name: benzylbenzene; 1-[4-(2,2-dimethylpropyl)phenyl]-4-(4-hydroxy-1-piperidyl)butan-1-one CAS Name: 1-[4-(2,2-dimethylpropyl)phenyl]-4-(4-hydroxy-1-piperidinyl)-1-butanone; (phenylmethyl)benzene IUPAC Name: benzylbenzene; 1-[4-(2,2-dimethylpropyl)phenyl]-4-(4-hydroxypiperidin-1-yl)butan-1-one Traditional Name: benzylbenzene; 4-(4-hydroxypiperidino)-1-(4-neopentylphenyl)butan-1-one Formula: C33H43NO2 MolecularWeight: 485.70002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)O.C1=CC=C(C=C1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)CC1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)O.C1=CC=C(C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C20H31NO2.C13H12/c1-20(2,3)15-16-6-8-17(9-7-16)19(23)5-4-12-21-13-10-18(22)11-14-21;1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h6-9,18,22H,4-5,10-15H2,1-3H3;1-10H,11H2