[3-[1-[butyl(methyl)amino]-4-oxidanylidene-cyclohexyl]phenyl] butanoate

Systemtic Name: [3-[1-[butyl(methyl)amino]-4-oxidanylidene-cyclohexyl]phenyl] butanoate Openeye Name: [3-[1-[butyl(methyl)amino]-4-oxo-cyclohexyl]phenyl] butanoate CAS Name: butanoic acid [3-[1-[butyl(methyl)amino]-4-oxocyclohexyl]phenyl] ester IUPAC Name: [3-[1-[butyl(methyl)amino]-4-oxocyclohexyl]phenyl] butanoate Traditional Name: butyric acid [3-[1-[butyl(methyl)amino]-4-keto-cyclohexyl]phenyl] ester Formula: C21H31NO3 MolecularWeight: 345.47574

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C1(CCC(=O)CC1)C2=CC(=CC=C2)OC(=O)CCC

Isomeric SMILES

CCCCN(C)C1(CCC(=O)CC1)C2=CC(=CC=C2)OC(=O)CCC

InChI

InChI=1S/C21H31NO3/c1-4-6-15-22(3)21(13-11-18(23)12-14-21)17-9-7-10-19(16-17)25-20(24)8-5-2/h7,9-10,16H,4-6,8,11-15H2,1-3H3