[1-(3-azanyl-4-tert-butyl-phenyl)-5-cyclohexyl-pentan-3-yl] benzoate

Systemtic Name: [1-(3-azanyl-4-tert-butyl-phenyl)-5-cyclohexyl-pentan-3-yl] benzoate Openeye Name: [1-[2-(3-amino-4-tert-butyl-phenyl)ethyl]-3-cyclohexyl-propyl] benzoate CAS Name: benzoic acid [1-(3-amino-4-tert-butylphenyl)-5-cyclohexylpentan-3-yl] ester IUPAC Name: [1-(3-amino-4-tert-butylphenyl)-5-cyclohexylpentan-3-yl] benzoate Traditional Name: benzoic acid [1-[2-(3-amino-4-tert-butyl-phenyl)ethyl]-3-cyclohexyl-propyl] ester Formula: C28H39NO2 MolecularWeight: 421.61476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)CCC(CCC2CCCCC2)OC(=O)C3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)CCC(CCC2CCCCC2)OC(=O)C3=CC=CC=C3)N

InChI

InChI=1S/C28H39NO2/c1-28(2,3)25-19-16-22(20-26(25)29)15-18-24(17-14-21-10-6-4-7-11-21)31-27(30)23-12-8-5-9-13-23/h5,8-9,12-13,16,19-21,24H,4,6-7,10-11,14-15,17-18,29H2,1-3H3