3-methyl-4-[4-(2-methylpropyl)phenoxy]azepane

Systemtic Name: 3-methyl-4-[4-(2-methylpropyl)phenoxy]azepane Openeye Name: 4-(4-isobutylphenoxy)-3-methyl-azepane CAS Name: 3-methyl-4-[4-(2-methylpropyl)phenoxy]azepane IUPAC Name: 3-methyl-4-[4-(2-methylpropyl)phenoxy]azepane Traditional Name: 4-(4-isobutylphenoxy)-3-methyl-azepane Formula: C17H27NO MolecularWeight: 261.40238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCCC1OC2=CC=C(C=C2)CC(C)C

Isomeric SMILES

CC1CNCCCC1OC2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C17H27NO/c1-13(2)11-15-6-8-16(9-7-15)19-17-5-4-10-18-12-14(17)3/h6-9,13-14,17-18H,4-5,10-12H2,1-3H3