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

Systemtic Name: ditert-butyl 6-methyl-6-oxidanyl-4-(phenethylamino)-2-phenyl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: ditert-butyl 6-hydroxy-6-methyl-4-(phenethylamino)-2-phenyl-cyclohex-3-ene-1,3-dicarboxylate CAS Name: 6-hydroxy-6-methyl-4-(phenethylamino)-2-phenylcyclohex-3-ene-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 6-hydroxy-6-methyl-4-(phenethylamino)-2-phenylcyclohex-3-ene-1,3-dicarboxylate Traditional Name: 6-hydroxy-6-methyl-4-(phenethylamino)-2-phenyl-cyclohex-3-ene-1,3-dicarboxylic acid ditert-butyl ester Formula: C31H41NO5 MolecularWeight: 507.66094

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H41NO5/c1-29(2,3)36-27(33)25-23(32-19-18-21-14-10-8-11-15-21)20-31(7,35)26(28(34)37-30(4,5)6)24(25)22-16-12-9-13-17-22/h8-17,24,26,32,35H,18-20H2,1-7H3