2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(piperidin-1-yl)amino]sulfanyl-butanoic acid

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(piperidin-1-yl)amino]sulfanyl-butanoic acid Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-4-[methyl(1-piperidyl)amino]sulfanyl-butanoic acid CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-4-[[methyl(1-piperidinyl)amino]thio]butanoic acid IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(piperidin-1-yl)amino]sulfanylbutanoic acid Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-4-[[methyl(piperidino)amino]thio]butyric acid Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSN(C)N1CCCCC1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(CCSN(C)N1CCCCC1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C22H30N2O3S/c1-22(21(25)26,11-14-28-23(2)24-12-5-4-6-13-24)19-9-7-18-16-20(27-3)10-8-17(18)15-19/h7-10,15-16H,4-6,11-14H2,1-3H3,(H,25,26)