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

Systemtic Name: 3-[5-methoxy-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]propanoic acid Openeye Name: 3-[5-methoxy-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]propanoic acid CAS Name: 3-[5-methoxy-3-methyl-1-[[4-(methylthio)phenyl]methyl]-2-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-3-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-2-yl]propanoic acid Traditional Name: 3-[5-methoxy-3-methyl-1-[4-(methylthio)benzyl]indol-2-yl]propionic acid Formula: C21H23NO3S MolecularWeight: 369.47722

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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)CCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO3S/c1-14-18-12-16(25-2)6-9-20(18)22(19(14)10-11-21(23)24)13-15-4-7-17(26-3)8-5-15/h4-9,12H,10-11,13H2,1-3H3,(H,23,24)