1-(azepan-1-yl)-4-(2,5-dimethylphenoxy)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-4-(2,5-dimethylphenoxy)butan-1-one Openeye Name: 1-(azepan-1-yl)-4-(2,5-dimethylphenoxy)butan-1-one CAS Name: 1-(1-azepanyl)-4-(2,5-dimethylphenoxy)-1-butanone IUPAC Name: 1-(azepan-1-yl)-4-(2,5-dimethylphenoxy)butan-1-one Traditional Name: 1-(azepan-1-yl)-4-(2,5-dimethylphenoxy)butan-1-one Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCCCC(=O)N2CCCCCC2

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCCCC(=O)N2CCCCCC2

InChI

InChI=1S/C18H27NO2/c1-15-9-10-16(2)17(14-15)21-13-7-8-18(20)19-11-5-3-4-6-12-19/h9-10,14H,3-8,11-13H2,1-2H3