ditert-butyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-6-oxidanyl-2-phenyl-cyclohex-3-ene-1,3-dicarboxylate

Systemtic Name: ditert-butyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-methyl-6-oxidanyl-2-phenyl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: ditert-butyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-hydroxy-6-methyl-2-phenyl-cyclohex-3-ene-1,3-dicarboxylate CAS Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 4-[2-(3,4-dimethoxyphenyl)ethylamino]-6-hydroxy-6-methyl-2-phenylcyclohex-3-ene-1,3-dicarboxylate Traditional Name: 4-(homoveratrylamino)-6-hydroxy-6-methyl-2-phenyl-cyclohex-3-ene-1,3-dicarboxylic acid ditert-butyl ester Formula: C33H45NO7 MolecularWeight: 567.7129

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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(=C(C=C3)OC)OC)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(=C(C=C3)OC)OC)O

InChI

InChI=1S/C33H45NO7/c1-31(2,3)40-29(35)27-23(34-18-17-21-15-16-24(38-8)25(19-21)39-9)20-33(7,37)28(30(36)41-32(4,5)6)26(27)22-13-11-10-12-14-22/h10-16,19,26,28,34,37H,17-18,20H2,1-9H3