3-[4-[ethyl(methyl)amino]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoic acid

Systemtic Name: 3-[4-[ethyl(methyl)amino]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methyl-pentanoic acid Openeye Name: 3-[3-[ethyl(methyl)amino]-1-methyl-propyl]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-pentanoic acid CAS Name: 3-[4-[ethyl(methyl)amino]butan-2-ylthio]-2-(6-methoxy-2-naphthalenyl)-2-methylpentanoic acid IUPAC Name: 3-[4-[ethyl(methyl)amino]butan-2-ylsulfanyl]-2-(6-methoxynaphthalen-2-yl)-2-methylpentanoic acid Traditional Name: 3-[[3-[ethyl(methyl)amino]-1-methyl-propyl]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-valeric acid Formula: C24H35NO3S MolecularWeight: 417.6046

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O)SC(C)CCN(C)CC

Isomeric SMILES

CCC(C(C)(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O)SC(C)CCN(C)CC

InChI

InChI=1S/C24H35NO3S/c1-7-22(29-17(3)13-14-25(5)8-2)24(4,23(26)27)20-11-9-19-16-21(28-6)12-10-18(19)15-20/h9-12,15-17,22H,7-8,13-14H2,1-6H3,(H,26,27)