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

Systemtic Name: 3-[5-methoxy-2-methyl-1-[(4-phenylsulfanylphenyl)methyl]indol-3-yl]propanoic acid Openeye Name: 3-[5-methoxy-2-methyl-1-[(4-phenylsulfanylphenyl)methyl]indol-3-yl]propanoic acid CAS Name: 3-[5-methoxy-2-methyl-1-[[4-(phenylthio)phenyl]methyl]-3-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-2-methyl-1-[(4-phenylsulfanylphenyl)methyl]indol-3-yl]propanoic acid Traditional Name: 3-[5-methoxy-2-methyl-1-[4-(phenylthio)benzyl]indol-3-yl]propionic acid Formula: C26H25NO3S MolecularWeight: 431.5466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC4=CC=CC=C4)C=CC(=C2)OC)CCC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC4=CC=CC=C4)C=CC(=C2)OC)CCC(=O)O

InChI

InChI=1S/C26H25NO3S/c1-18-23(13-15-26(28)29)24-16-20(30-2)10-14-25(24)27(18)17-19-8-11-22(12-9-19)31-21-6-4-3-5-7-21/h3-12,14,16H,13,15,17H2,1-2H3,(H,28,29)