4-[5-methoxy-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]butanoic acid

Systemtic Name: 4-[5-methoxy-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]butanoic acid Openeye Name: 4-[5-methoxy-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]butanoic acid CAS Name: 4-[5-methoxy-3-methyl-1-[[4-(methylthio)phenyl]methyl]-2-indolyl]butanoic acid IUPAC Name: 4-[5-methoxy-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]butanoic acid Traditional Name: 4-[5-methoxy-3-methyl-1-[4-(methylthio)benzyl]indol-2-yl]butyric acid Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)SC)CCCC(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C=C(C=C2)OC)CC3=CC=C(C=C3)SC)CCCC(=O)O

InChI

InChI=1S/C22H25NO3S/c1-15-19-13-17(26-2)9-12-21(19)23(20(15)5-4-6-22(24)25)14-16-7-10-18(27-3)11-8-16/h7-13H,4-6,14H2,1-3H3,(H,24,25)