2-[3-(3,4-dimethylphenyl)azepan-3-yl]ethanol

Systemtic Name: 2-[3-(3,4-dimethylphenyl)azepan-3-yl]ethanol Openeye Name: 2-[3-(3,4-dimethylphenyl)azepan-3-yl]ethanol CAS Name: 2-[3-(3,4-dimethylphenyl)-3-azepanyl]ethanol IUPAC Name: 2-[3-(3,4-dimethylphenyl)azepan-3-yl]ethanol Traditional Name: 2-[3-(3,4-dimethylphenyl)azepan-3-yl]ethanol Formula: C16H25NO MolecularWeight: 247.3758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(CCCCNC2)CCO)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2(CCCCNC2)CCO)C

InChI

InChI=1S/C16H25NO/c1-13-5-6-15(11-14(13)2)16(8-10-18)7-3-4-9-17-12-16/h5-6,11,17-18H,3-4,7-10,12H2,1-2H3