3-[4-[butyl(methyl)amino]butylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-hexanoic acid

Systemtic Name: 3-[4-[butyl(methyl)amino]butylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-hexanoic acid Openeye Name: 3-[4-[butyl(methyl)amino]butylsulfanyl]-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoic acid CAS Name: 3-[4-[butyl(methyl)amino]butylthio]-2-(6-methoxy-2-naphthalenyl)-2-methylhexanoic acid IUPAC Name: 3-[4-[butyl(methyl)amino]butylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methylhexanoic acid Traditional Name: 3-[4-[butyl(methyl)amino]butylthio]-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoic acid Formula: C27H41NO3S MolecularWeight: 459.68434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CCCCSC(CCC)C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O

Isomeric SMILES

CCCCN(C)CCCCSC(CCC)C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O

InChI

InChI=1S/C27H41NO3S/c1-6-8-16-28(4)17-9-10-18-32-25(11-7-2)27(3,26(29)30)23-14-12-22-20-24(31-5)15-13-21(22)19-23/h12-15,19-20,25H,6-11,16-18H2,1-5H3,(H,29,30)