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

Systemtic Name: [2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] 2-(4-methoxyphenyl)ethanoate Openeye Name: [1-(4-isopropylsulfanylphenyl)-2-(octylamino)propyl] 2-(4-methoxyphenyl)acetate CAS Name: 2-(4-methoxyphenyl)acetic acid [2-(octylamino)-1-[4-(propan-2-ylthio)phenyl]propyl] ester IUPAC Name: [2-(octylamino)-1-(4-propan-2-ylsulfanylphenyl)propyl] 2-(4-methoxyphenyl)acetate Traditional Name: 2-(4-methoxyphenyl)acetic acid [1-[4-(isopropylthio)phenyl]-2-(octylamino)propyl] ester Formula: C29H43NO3S MolecularWeight: 485.72162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)OC(=O)CC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCNC(C)C(C1=CC=C(C=C1)SC(C)C)OC(=O)CC2=CC=C(C=C2)OC

InChI

InChI=1S/C29H43NO3S/c1-6-7-8-9-10-11-20-30-23(4)29(25-14-18-27(19-15-25)34-22(2)3)33-28(31)21-24-12-16-26(32-5)17-13-24/h12-19,22-23,29-30H,6-11,20-21H2,1-5H3