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

Systemtic Name: methyl 3-butanoyl-4-(heptylamino)-6,6-dimethyl-2-oxidanylidene-cyclohex-3-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-4-(heptylamino)-6,6-dimethyl-2-oxo-cyclohex-3-ene-1-carboxylate CAS Name: 4-(heptylamino)-6,6-dimethyl-2-oxo-3-(1-oxobutyl)-1-cyclohex-3-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-4-(heptylamino)-6,6-dimethyl-2-oxocyclohex-3-ene-1-carboxylate Traditional Name: 3-butyryl-4-(heptylamino)-2-keto-6,6-dimethyl-cyclohex-3-ene-1-carboxylic acid methyl ester Formula: C21H35NO4 MolecularWeight: 365.5069

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC1=C(C(=O)C(C(C1)(C)C)C(=O)OC)C(=O)CCC

Isomeric SMILES

CCCCCCCNC1=C(C(=O)C(C(C1)(C)C)C(=O)OC)C(=O)CCC

InChI

InChI=1S/C21H35NO4/c1-6-8-9-10-11-13-22-15-14-21(3,4)18(20(25)26-5)19(24)17(15)16(23)12-7-2/h18,22H,6-14H2,1-5H3