3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanoic acid Openeye Name: 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanoic acid CAS Name: 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylthio]propanoic acid IUPAC Name: 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylsulfanyl]propanoic acid Traditional Name: 3-[[6-(2-methoxyphenyl)-2,2-dimethyl-1H-quinolin-4-yl]methylthio]propionic acid Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CSCCC(=O)O)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3OC)CSCCC(=O)O)C

InChI

InChI=1S/C22H25NO3S/c1-22(2)13-16(14-27-11-10-21(24)25)18-12-15(8-9-19(18)23-22)17-6-4-5-7-20(17)26-3/h4-9,12-13,23H,10-11,14H2,1-3H3,(H,24,25)