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

Systemtic Name: 3-[4-[ethyl(methyl)amino]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-hexanoic acid Openeye Name: 3-[4-[ethyl(methyl)amino]phenyl]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoic acid CAS Name: 3-[[4-[ethyl(methyl)amino]phenyl]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylhexanoic acid IUPAC Name: 3-[4-[ethyl(methyl)amino]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylhexanoic acid Traditional Name: 3-[[4-[ethyl(methyl)amino]phenyl]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-hexanoic acid Formula: C27H33NO3S MolecularWeight: 451.62082

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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)SC3=CC=C(C=C3)N(C)CC

Isomeric SMILES

CCCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O)SC3=CC=C(C=C3)N(C)CC

InChI

InChI=1S/C27H33NO3S/c1-6-8-25(32-24-15-12-22(13-16-24)28(4)7-2)27(3,26(29)30)21-11-9-20-18-23(31-5)14-10-19(20)17-21/h9-18,25H,6-8H2,1-5H3,(H,29,30)