ditert-butyl 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylamino]-6-methyl-6-oxidanyl-cyclohex-3-ene-1,3-dicarboxylate

Systemtic Name: ditert-butyl 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylamino]-6-methyl-6-oxidanyl-cyclohex-3-ene-1,3-dicarboxylate Openeye Name: ditert-butyl 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylamino]-6-hydroxy-6-methyl-cyclohex-3-ene-1,3-dicarboxylate CAS Name: 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylamino]-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylamino]-6-hydroxy-6-methylcyclohex-3-ene-1,3-dicarboxylate Traditional Name: 2-(4-chlorophenyl)-4-[3-(dimethylamino)propylamino]-6-hydroxy-6-methyl-cyclohex-3-ene-1,3-dicarboxylic acid ditert-butyl ester Formula: C28H43ClN2O5 MolecularWeight: 523.10442

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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)NCCCN(C)C)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)NCCCN(C)C)O

InChI

InChI=1S/C28H43ClN2O5/c1-26(2,3)35-24(32)22-20(30-15-10-16-31(8)9)17-28(7,34)23(25(33)36-27(4,5)6)21(22)18-11-13-19(29)14-12-18/h11-14,21,23,30,34H,10,15-17H2,1-9H3