methyl (1R)-3-[1-[(4-methoxyphenyl)amino]but-1-enyl]-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl (1R)-3-[1-[(4-methoxyphenyl)amino]but-1-enyl]-6,6-dimethyl-2-oxidanyl-4-oxidanylidene-cyclohex-2-ene-1-carboxylate Openeye Name: methyl (1R)-2-hydroxy-3-[1-(4-methoxyanilino)but-1-enyl]-6,6-dimethyl-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: (1R)-2-hydroxy-3-[1-(4-methoxyanilino)but-1-enyl]-6,6-dimethyl-4-oxo-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl (1R)-2-hydroxy-3-[1-(4-methoxyanilino)but-1-enyl]-6,6-dimethyl-4-oxocyclohex-2-ene-1-carboxylate Traditional Name: (1R)-2-hydroxy-4-keto-6,6-dimethyl-3-[1-(p-anisidino)but-1-enyl]cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C21H27NO5 MolecularWeight: 373.44278

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C1=C(C(C(CC1=O)(C)C)C(=O)OC)O)NC2=CC=C(C=C2)OC

Isomeric SMILES

CCC=C(C1=C([C@@H](C(CC1=O)(C)C)C(=O)OC)O)NC2=CC=C(C=C2)OC

InChI

InChI=1S/C21H27NO5/c1-6-7-15(22-13-8-10-14(26-4)11-9-13)17-16(23)12-21(2,3)18(19(17)24)20(25)27-5/h7-11,18,22,24H,6,12H2,1-5H3/t18-/m1/s1