1-[4-chloranyl-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]octadecan-1-one

Systemtic Name: 1-[4-chloranyl-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]octadecan-1-one Openeye Name: 1-[4-chloro-3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]octadecan-1-one CAS Name: 1-[4-chloro-3-(4,4-dimethyl-5H-oxazol-2-yl)phenyl]-1-octadecanone IUPAC Name: 1-[4-chloro-3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]octadecan-1-one Traditional Name: 1-[4-chloro-3-(4,4-dimethyl-2-oxazolin-2-yl)phenyl]octadecan-1-one Formula: C29H46ClNO2 MolecularWeight: 476.13404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)Cl)C2=NC(CO2)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=CC(=C(C=C1)Cl)C2=NC(CO2)(C)C

InChI

InChI=1S/C29H46ClNO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(32)24-20-21-26(30)25(22-24)28-31-29(2,3)23-33-28/h20-22H,4-19,23H2,1-3H3