ditert-butyl 2-(4-chlorophenyl)-6-methyl-6-oxidanyl-4-(phenethylamino)cyclohex-3-ene-1,3-dicarboxylate

Systemtic Name: ditert-butyl 2-(4-chlorophenyl)-6-methyl-6-oxidanyl-4-(phenethylamino)cyclohex-3-ene-1,3-dicarboxylate Openeye Name: ditert-butyl 2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-(phenethylamino)cyclohex-3-ene-1,3-dicarboxylate CAS Name: 2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-(phenethylamino)cyclohex-3-ene-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-(phenethylamino)cyclohex-3-ene-1,3-dicarboxylate Traditional Name: 2-(4-chlorophenyl)-6-hydroxy-6-methyl-4-(phenethylamino)cyclohex-3-ene-1,3-dicarboxylic acid ditert-butyl ester Formula: C31H40ClNO5 MolecularWeight: 542.106

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C)NCCC3=CC=CC=C3)O

Isomeric SMILES

CC1(CC(=C(C(C1C(=O)OC(C)(C)C)C2=CC=C(C=C2)Cl)C(=O)OC(C)(C)C)NCCC3=CC=CC=C3)O

InChI

InChI=1S/C31H40ClNO5/c1-29(2,3)37-27(34)25-23(33-18-17-20-11-9-8-10-12-20)19-31(7,36)26(28(35)38-30(4,5)6)24(25)21-13-15-22(32)16-14-21/h8-16,24,26,33,36H,17-19H2,1-7H3