[2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] 3,3-dimethylbutanoate

Systemtic Name: [2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] 3,3-dimethylbutanoate Openeye Name: [1-(4-isopropylsulfanylphenyl)-2-(octylamino)propyl] 3,3-dimethylbutanoate CAS Name: 3,3-dimethylbutanoic acid [2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]propyl] ester IUPAC Name: [2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] 3,3-dimethylbutanoate Traditional Name: 3,3-dimethylbutyric acid [1-[4-(isopropylthio)phenyl]-2-(octylamino)propyl] ester Formula: C26H45NO2S MolecularWeight: 435.706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)OC(=O)CC(C)(C)C

Isomeric SMILES

CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)OC(=O)CC(C)(C)C

InChI

InChI=1S/C26H45NO2S/c1-8-9-10-11-12-13-18-27-21(4)25(29-24(28)19-26(5,6)7)22-14-16-23(17-15-22)30-20(2)3/h14-17,20-21,25,27H,8-13,18-19H2,1-7H3