[4-[1-cyclohexyl-1-oxidanylidene-2-(propan-2-ylamino)heptan-2-yl]phenyl] benzoate

Systemtic Name: [4-[1-cyclohexyl-1-oxidanylidene-2-(propan-2-ylamino)heptan-2-yl]phenyl] benzoate Openeye Name: [4-[1-(cyclohexanecarbonyl)-1-(isopropylamino)hexyl]phenyl] benzoate CAS Name: benzoic acid [4-[1-cyclohexyl-1-oxo-2-(propan-2-ylamino)heptan-2-yl]phenyl] ester IUPAC Name: [4-[1-cyclohexyl-1-oxo-2-(propan-2-ylamino)heptan-2-yl]phenyl] benzoate Traditional Name: benzoic acid [4-[1-(cyclohexanecarbonyl)-1-(isopropylamino)hexyl]phenyl] ester Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)(C(=O)C3CCCCC3)NC(C)C

Isomeric SMILES

CCCCCC(C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2)(C(=O)C3CCCCC3)NC(C)C

InChI

InChI=1S/C29H39NO3/c1-4-5-12-21-29(30-22(2)3,27(31)23-13-8-6-9-14-23)25-17-19-26(20-18-25)33-28(32)24-15-10-7-11-16-24/h7,10-11,15-20,22-23,30H,4-6,8-9,12-14,21H2,1-3H3