[3-[1-(hexylamino)-4-oxidanylidene-cyclohexyl]phenyl] benzoate

Systemtic Name: [3-[1-(hexylamino)-4-oxidanylidene-cyclohexyl]phenyl] benzoate Openeye Name: [3-[1-(hexylamino)-4-oxo-cyclohexyl]phenyl] benzoate CAS Name: benzoic acid [3-[1-(hexylamino)-4-oxocyclohexyl]phenyl] ester IUPAC Name: [3-[1-(hexylamino)-4-oxocyclohexyl]phenyl] benzoate Traditional Name: benzoic acid [3-[1-(hexylamino)-4-keto-cyclohexyl]phenyl] ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1(CCC(=O)CC1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3

Isomeric SMILES

CCCCCCNC1(CCC(=O)CC1)C2=CC(=CC=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO3/c1-2-3-4-8-18-26-25(16-14-22(27)15-17-25)21-12-9-13-23(19-21)29-24(28)20-10-6-5-7-11-20/h5-7,9-13,19,26H,2-4,8,14-18H2,1H3