anthracen-1-yl 6-ethyl-4,4-dimethyl-1-(6-methylpyridin-3-yl)cyclohex-2-ene-1-carboxylate

Systemtic Name: anthracen-1-yl 6-ethyl-4,4-dimethyl-1-(6-methylpyridin-3-yl)cyclohex-2-ene-1-carboxylate Openeye Name: 1-anthryl 6-ethyl-4,4-dimethyl-1-(6-methyl-3-pyridyl)cyclohex-2-ene-1-carboxylate CAS Name: 6-ethyl-4,4-dimethyl-1-(6-methyl-3-pyridinyl)-1-cyclohex-2-enecarboxylic acid 1-anthracenyl ester IUPAC Name: anthracen-1-yl 6-ethyl-4,4-dimethyl-1-(6-methylpyridin-3-yl)cyclohex-2-ene-1-carboxylate Traditional Name: 6-ethyl-4,4-dimethyl-1-(6-methyl-3-pyridyl)cyclohex-2-ene-1-carboxylic acid 1-anthryl ester Formula: C31H31NO2 MolecularWeight: 449.58334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC(C=CC1(C2=CN=C(C=C2)C)C(=O)OC3=CC=CC4=CC5=CC=CC=C5C=C43)(C)C

Isomeric SMILES

CCC1CC(C=CC1(C2=CN=C(C=C2)C)C(=O)OC3=CC=CC4=CC5=CC=CC=C5C=C43)(C)C

InChI

InChI=1S/C31H31NO2/c1-5-25-19-30(3,4)15-16-31(25,26-14-13-21(2)32-20-26)29(33)34-28-12-8-11-24-17-22-9-6-7-10-23(22)18-27(24)28/h6-18,20,25H,5,19H2,1-4H3