[2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] cyclohexanecarboxylate

Systemtic Name: [2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] cyclohexanecarboxylate Openeye Name: [1-(4-isopropylsulfanylphenyl)-2-(octylamino)propyl] cyclohexanecarboxylate CAS Name: cyclohexanecarboxylic acid [2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]propyl] ester IUPAC Name: [2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] cyclohexanecarboxylate Traditional Name: cyclohexanecarboxylic acid [1-[4-(isopropylthio)phenyl]-2-(octylamino)propyl] ester Formula: C27H45NO2S MolecularWeight: 447.7167

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)OC(=O)C2CCCCC2

Isomeric SMILES

CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)OC(=O)C2CCCCC2

InChI

InChI=1S/C27H45NO2S/c1-5-6-7-8-9-13-20-28-22(4)26(30-27(29)24-14-11-10-12-15-24)23-16-18-25(19-17-23)31-21(2)3/h16-19,21-22,24,26,28H,5-15,20H2,1-4H3