3-[4-[2,4-bis(chloranyl)phenoxy]but-2-ynyl-methyl-amino]-5,5-dimethyl-cyclohex-2-en-1-one

Systemtic Name: 3-[4-[2,4-bis(chloranyl)phenoxy]but-2-ynyl-methyl-amino]-5,5-dimethyl-cyclohex-2-en-1-one Openeye Name: 3-[4-(2,4-dichlorophenoxy)but-2-ynyl-methyl-amino]-5,5-dimethyl-cyclohex-2-en-1-one CAS Name: 3-[4-(2,4-dichlorophenoxy)but-2-ynyl-methylamino]-5,5-dimethyl-1-cyclohex-2-enone IUPAC Name: 3-[4-(2,4-dichlorophenoxy)but-2-ynyl-methylamino]-5,5-dimethylcyclohex-2-en-1-one Traditional Name: 3-[4-(2,4-dichlorophenoxy)but-2-ynyl-methyl-amino]-5,5-dimethyl-cyclohex-2-en-1-one Formula: C19H21Cl2NO2 MolecularWeight: 366.28154

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=O)C1)N(C)CC#CCOC2=C(C=C(C=C2)Cl)Cl)C

Isomeric SMILES

CC1(CC(=CC(=O)C1)N(C)CC#CCOC2=C(C=C(C=C2)Cl)Cl)C

InChI

InChI=1S/C19H21Cl2NO2/c1-19(2)12-15(11-16(23)13-19)22(3)8-4-5-9-24-18-7-6-14(20)10-17(18)21/h6-7,10-11H,8-9,12-13H2,1-3H3