5,5-dimethyl-2-[C-(naphthalen-1-ylmethyl)-N-[(2S)-1-oxidanylbutan-2-yl]carbonimidoyl]cyclohexane-1,3-dione

Systemtic Name: 5,5-dimethyl-2-[C-(naphthalen-1-ylmethyl)-N-[(2S)-1-oxidanylbutan-2-yl]carbonimidoyl]cyclohexane-1,3-dione Openeye Name: 2-[N-[(1S)-1-(hydroxymethyl)propyl]-C-(1-naphthylmethyl)carbonimidoyl]-5,5-dimethyl-cyclohexane-1,3-dione CAS Name: 2-[1-[(2S)-1-hydroxybutan-2-yl]imino-2-(1-naphthalenyl)ethyl]-5,5-dimethylcyclohexane-1,3-dione IUPAC Name: 2-[N-[(2S)-1-hydroxybutan-2-yl]-C-(naphthalen-1-ylmethyl)carbonimidoyl]-5,5-dimethylcyclohexane-1,3-dione Traditional Name: 5,5-dimethyl-2-[N-[(1S)-1-methylolpropyl]-C-(1-naphthylmethyl)carbonimidoyl]cyclohexane-1,3-quinone Formula: C24H29NO3 MolecularWeight: 379.49196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)N=C(CC1=CC=CC2=CC=CC=C21)C3C(=O)CC(CC3=O)(C)C

Isomeric SMILES

CC[C@@H](CO)N=C(CC1=CC=CC2=CC=CC=C21)C3C(=O)CC(CC3=O)(C)C

InChI

InChI=1S/C24H29NO3/c1-4-18(15-26)25-20(23-21(27)13-24(2,3)14-22(23)28)12-17-10-7-9-16-8-5-6-11-19(16)17/h5-11,18,23,26H,4,12-15H2,1-3H3/t18-/m0/s1