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

Systemtic Name: 3-[3-[ethyl(methyl)amino]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methyl-heptanoic acid Openeye Name: 3-[3-[ethyl(methyl)amino]phenyl]sulfanyl-2-(6-methoxy-2-naphthyl)-2-methyl-heptanoic acid CAS Name: 3-[[3-[ethyl(methyl)amino]phenyl]thio]-2-(6-methoxy-2-naphthalenyl)-2-methylheptanoic acid IUPAC Name: 3-[3-[ethyl(methyl)amino]phenyl]sulfanyl-2-(6-methoxynaphthalen-2-yl)-2-methylheptanoic acid Traditional Name: 3-[[3-[ethyl(methyl)amino]phenyl]thio]-2-(6-methoxy-2-naphthyl)-2-methyl-enanthic acid Formula: C28H35NO3S MolecularWeight: 465.6474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO3S/c1-6-8-12-26(33-25-11-9-10-23(19-25)29(4)7-2)28(3,27(30)31)22-15-13-21-18-24(32-5)16-14-20(21)17-22/h9-11,13-19,26H,6-8,12H2,1-5H3,(H,30,31)