1-[3-(2-methylphenyl)carbonyl-4,5-dihydro-1,2-oxazol-5-yl]heptan-1-one

Systemtic Name: 1-[3-(2-methylphenyl)carbonyl-4,5-dihydro-1,2-oxazol-5-yl]heptan-1-one Openeye Name: 1-[3-(2-methylbenzoyl)-4,5-dihydroisoxazol-5-yl]heptan-1-one CAS Name: 1-[3-[(2-methylphenyl)-oxomethyl]-4,5-dihydroisoxazol-5-yl]-1-heptanone IUPAC Name: 1-[3-(2-methylbenzoyl)-4,5-dihydro-1,2-oxazol-5-yl]heptan-1-one Traditional Name: 1-(3-o-toluoyl-2-isoxazolin-5-yl)heptan-1-one Formula: C18H23NO3 MolecularWeight: 301.38012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C1CC(=NO1)C(=O)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCC(=O)C1CC(=NO1)C(=O)C2=CC=CC=C2C

InChI

InChI=1S/C18H23NO3/c1-3-4-5-6-11-16(20)17-12-15(19-22-17)18(21)14-10-8-7-9-13(14)2/h7-10,17H,3-6,11-12H2,1-2H3