[2-(4-phenylbutylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] cyclobutanecarboxylate

Systemtic Name: [2-(4-phenylbutylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] cyclobutanecarboxylate Openeye Name: [1-(4-isopropylsulfanylphenyl)-2-(4-phenylbutylamino)propyl] cyclobutanecarboxylate CAS Name: cyclobutanecarboxylic acid [2-(4-phenylbutylamino)-1-[4-(propan-2-ylthio)phenyl]propyl] ester IUPAC Name: [2-(4-phenylbutylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] cyclobutanecarboxylate Traditional Name: cyclobutanecarboxylic acid [1-[4-(isopropylthio)phenyl]-2-(4-phenylbutylamino)propyl] ester Formula: C27H37NO2S MolecularWeight: 439.65318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=CC=C(C=C1)C(C(C)NCCCCC2=CC=CC=C2)OC(=O)C3CCC3

Isomeric SMILES

CC(C)SC1=CC=C(C=C1)C(C(C)NCCCCC2=CC=CC=C2)OC(=O)C3CCC3

InChI

InChI=1S/C27H37NO2S/c1-20(2)31-25-17-15-23(16-18-25)26(30-27(29)24-13-9-14-24)21(3)28-19-8-7-12-22-10-5-4-6-11-22/h4-6,10-11,15-18,20-21,24,26,28H,7-9,12-14,19H2,1-3H3