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

Systemtic Name: diethyl (1S,2S,6R)-6-methyl-6-oxidanyl-2-phenyl-4-phenylazanyl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: diethyl (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-phenyl-cyclohex-3-ene-1,3-dicarboxylate CAS Name: (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylate Traditional Name: (1S,2S,6R)-4-anilino-6-hydroxy-6-methyl-2-phenyl-cyclohex-3-ene-1,3-dicarboxylic acid diethyl ester Formula: C25H29NO5 MolecularWeight: 423.50146

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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=CC=C3

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=CC=C3

InChI

InChI=1S/C25H29NO5/c1-4-30-23(27)21-19(26-18-14-10-7-11-15-18)16-25(3,29)22(24(28)31-5-2)20(21)17-12-8-6-9-13-17/h6-15,20,22,26,29H,4-5,16H2,1-3H3/t20-,22+,25+/m0/s1