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

Systemtic Name: 3-[4-[ethyl(methyl)amino]butylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-hexanoic acid Openeye Name: 3-[4-[ethyl(methyl)amino]butylsulfanyl]-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoic acid CAS Name: 3-[4-[ethyl(methyl)amino]butylthio]-2-(6-methoxy-2-naphthalenyl)-2-methylhexanoic acid IUPAC Name: 3-[4-[ethyl(methyl)amino]butylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methylhexanoic acid Traditional Name: 3-[4-[ethyl(methyl)amino]butylthio]-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoic acid Formula: C25H37NO3S MolecularWeight: 431.63118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O)SCCCCN(C)CC

Isomeric SMILES

CCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O)SCCCCN(C)CC

InChI

InChI=1S/C25H37NO3S/c1-6-10-23(30-16-9-8-15-26(4)7-2)25(3,24(27)28)21-13-11-20-18-22(29-5)14-12-19(20)17-21/h11-14,17-18,23H,6-10,15-16H2,1-5H3,(H,27,28)