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

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(morpholin-4-yl)amino]sulfanyl-butanoic acid Openeye Name: 2-(6-methoxy-2-naphthyl)-2-methyl-4-[methyl(morpholino)amino]sulfanyl-butanoic acid CAS Name: 2-(6-methoxy-2-naphthalenyl)-2-methyl-4-[[methyl(4-morpholinyl)amino]thio]butanoic acid IUPAC Name: 2-(6-methoxynaphthalen-2-yl)-2-methyl-4-[methyl(morpholin-4-yl)amino]sulfanylbutanoic acid Traditional Name: 2-(6-methoxy-2-naphthyl)-2-methyl-4-[[methyl(morpholino)amino]thio]butyric acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCSN(C)N1CCOCC1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

Isomeric SMILES

CC(CCSN(C)N1CCOCC1)(C2=CC3=C(C=C2)C=C(C=C3)OC)C(=O)O

InChI

InChI=1S/C21H28N2O4S/c1-21(20(24)25,8-13-28-22(2)23-9-11-27-12-10-23)18-6-4-17-15-19(26-3)7-5-16(17)14-18/h4-7,14-15H,8-13H2,1-3H3,(H,24,25)