4-[[4-[(2-chloranyl-4-methoxy-phenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione

Systemtic Name: 4-[[4-[(2-chloranyl-4-methoxy-phenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione Openeye Name: 4-[[4-[(2-chloro-4-methoxy-phenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione CAS Name: 4-[[4-[(2-chloro-4-methoxyphenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione IUPAC Name: 4-[[4-[(2-chloro-4-methoxyphenyl)methyl]cyclohexyl]methyl]heptane-3,5-dione Traditional Name: 4-[[4-(2-chloro-4-methoxy-benzyl)cyclohexyl]methyl]heptane-3,5-dione Formula: C22H31ClO3 MolecularWeight: 378.93274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C(CC1CCC(CC1)CC2=C(C=C(C=C2)OC)Cl)C(=O)CC

Isomeric SMILES

CCC(=O)C(CC1CCC(CC1)CC2=C(C=C(C=C2)OC)Cl)C(=O)CC

InChI

InChI=1S/C22H31ClO3/c1-4-21(24)19(22(25)5-2)13-16-8-6-15(7-9-16)12-17-10-11-18(26-3)14-20(17)23/h10-11,14-16,19H,4-9,12-13H2,1-3H3