diethyl (1S,2S,6R)-6-methyl-2-(4-methylphenyl)-6-oxidanyl-4-phenylazanyl-cyclohex-3-ene-1,3-dicarboxylate

Systemtic Name: diethyl (1S,2S,6R)-6-methyl-2-(4-methylphenyl)-6-oxidanyl-4-phenylazanyl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: diethyl (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-(p-tolyl)cyclohex-3-ene-1,3-dicarboxylate CAS Name: (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-(4-methylphenyl)cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-(4-methylphenyl)cyclohex-3-ene-1,3-dicarboxylate Traditional Name: (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-(p-tolyl)cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester Formula: C26H31NO5 MolecularWeight: 437.52804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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