diethyl (1R,2S)-6-methyl-4-[(4-methylphenyl)amino]-6-oxidanyl-2-phenyl-cyclohex-3-ene-1,3-dicarboxylate

Systemtic Name: diethyl (1R,2S)-6-methyl-4-[(4-methylphenyl)amino]-6-oxidanyl-2-phenyl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: diethyl (1R,2S)-6-hydroxy-6-methyl-4-(4-methylanilino)-2-phenyl-cyclohex-3-ene-1,3-dicarboxylate CAS Name: (1R,2S)-6-hydroxy-6-methyl-4-(4-methylanilino)-2-phenylcyclohex-3-ene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1R,2S)-6-hydroxy-6-methyl-4-(4-methylanilino)-2-phenylcyclohex-3-ene-1,3-dicarboxylate Traditional Name: (1R,2S)-6-hydroxy-6-methyl-2-phenyl-4-(p-toluidino)cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester Formula: C26H31NO5 MolecularWeight: 437.52804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(CC1(C)O)NC2=CC=C(C=C2)C)C(=O)OCC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](C(=C(CC1(C)O)NC2=CC=C(C=C2)C)C(=O)OCC)C3=CC=CC=C3

InChI

InChI=1S/C26H31NO5/c1-5-31-24(28)22-20(27-19-14-12-17(3)13-15-19)16-26(4,30)23(25(29)32-6-2)21(22)18-10-8-7-9-11-18/h7-15,21,23,27,30H,5-6,16H2,1-4H3/t21-,23-,26?/m0/s1