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

Systemtic Name: diethyl (1S,2S,6R)-2-(4-chlorophenyl)-6-methyl-6-oxidanyl-4-phenylazanyl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: diethyl (1S,2S,6R)-4-anilino-2-(4-chlorophenyl)-6-hydroxy-6-methyl-cyclohex-3-ene-1,3-dicarboxylate CAS Name: (1S,2S,6R)-4-anilino-2-(4-chlorophenyl)-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,6R)-4-anilino-2-(4-chlorophenyl)-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate Traditional Name: (1S,2S,6R)-4-anilino-2-(4-chlorophenyl)-6-hydroxy-6-methyl-cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester Formula: C25H28ClNO5 MolecularWeight: 457.94652

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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)Cl

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)Cl

InChI

InChI=1S/C25H28ClNO5/c1-4-31-23(28)21-19(27-18-9-7-6-8-10-18)15-25(3,30)22(24(29)32-5-2)20(21)16-11-13-17(26)14-12-16/h6-14,20,22,27,30H,4-5,15H2,1-3H3/t20-,22+,25+/m0/s1