methyl 6,6-dimethyl-2-oxidanylidene-4-(phenethylamino)cyclohex-3-ene-1-carboxylate

Systemtic Name: methyl 6,6-dimethyl-2-oxidanylidene-4-(phenethylamino)cyclohex-3-ene-1-carboxylate Openeye Name: methyl 6,6-dimethyl-2-oxo-4-(phenethylamino)cyclohex-3-ene-1-carboxylate CAS Name: 6,6-dimethyl-2-oxo-4-(phenethylamino)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 6,6-dimethyl-2-oxo-4-(phenethylamino)cyclohex-3-ene-1-carboxylate Traditional Name: 2-keto-6,6-dimethyl-4-(phenethylamino)cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1C(=O)OC)NCCC2=CC=CC=C2)C

Isomeric SMILES

CC1(CC(=CC(=O)C1C(=O)OC)NCCC2=CC=CC=C2)C

InChI

InChI=1S/C18H23NO3/c1-18(2)12-14(11-15(20)16(18)17(21)22-3)19-10-9-13-7-5-4-6-8-13/h4-8,11,16,19H,9-10,12H2,1-3H3