[3-[1-(dimethylamino)-4-oxidanylidene-cyclohexyl]phenyl] butanoate

Systemtic Name: [3-[1-(dimethylamino)-4-oxidanylidene-cyclohexyl]phenyl] butanoate Openeye Name: [3-[1-(dimethylamino)-4-oxo-cyclohexyl]phenyl] butanoate CAS Name: butanoic acid [3-[1-(dimethylamino)-4-oxocyclohexyl]phenyl] ester IUPAC Name: [3-[1-(dimethylamino)-4-oxocyclohexyl]phenyl] butanoate Traditional Name: butyric acid [3-[1-(dimethylamino)-4-keto-cyclohexyl]phenyl] ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=CC(=C1)C2(CCC(=O)CC2)N(C)C

Isomeric SMILES

CCCC(=O)OC1=CC=CC(=C1)C2(CCC(=O)CC2)N(C)C

InChI

InChI=1S/C18H25NO3/c1-4-6-17(21)22-16-8-5-7-14(13-16)18(19(2)3)11-9-15(20)10-12-18/h5,7-8,13H,4,6,9-12H2,1-3H3