1-methyl-2-[[3-methyl-5-(2-methylpropoxy)phenyl]methyl]azepane

Systemtic Name: 1-methyl-2-[[3-methyl-5-(2-methylpropoxy)phenyl]methyl]azepane Openeye Name: 2-[(3-isobutoxy-5-methyl-phenyl)methyl]-1-methyl-azepane CAS Name: 1-methyl-2-[[3-methyl-5-(2-methylpropoxy)phenyl]methyl]azepane IUPAC Name: 1-methyl-2-[[3-methyl-5-(2-methylpropoxy)phenyl]methyl]azepane Traditional Name: 2-(3-isobutoxy-5-methyl-benzyl)-1-methyl-azepane Formula: C19H31NO MolecularWeight: 289.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCC(C)C)CC2CCCCCN2C

Isomeric SMILES

CC1=CC(=CC(=C1)OCC(C)C)CC2CCCCCN2C

InChI

InChI=1S/C19H31NO/c1-15(2)14-21-19-11-16(3)10-17(13-19)12-18-8-6-5-7-9-20(18)4/h10-11,13,15,18H,5-9,12,14H2,1-4H3