1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)butan-1-one

Systemtic Name: 1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)butan-1-one Openeye Name: 1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)butan-1-one CAS Name: 1-(1-azepanyl)-2-(2,3-dimethylphenoxy)-1-butanone IUPAC Name: 1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)butan-1-one Traditional Name: 1-(azepan-1-yl)-2-(2,3-dimethylphenoxy)butan-1-one Formula: C18H27NO2 MolecularWeight: 289.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N1CCCCCC1)OC2=CC=CC(=C2C)C

Isomeric SMILES

CCC(C(=O)N1CCCCCC1)OC2=CC=CC(=C2C)C

InChI

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