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

Systemtic Name: 4-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]-3-methyl-butanoic acid Openeye Name: 4-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]-3-methyl-butanoic acid CAS Name: 4-[5-methoxy-2-methyl-1-[[4-(methylthio)phenyl]methyl]-3-indolyl]-3-methylbutanoic acid IUPAC Name: 4-[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]-3-methylbutanoic acid Traditional Name: 4-[5-methoxy-2-methyl-1-[4-(methylthio)benzyl]indol-3-yl]-3-methyl-butyric acid Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)OC)CC(C)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)OC)CC(C)CC(=O)O

InChI

InChI=1S/C23H27NO3S/c1-15(12-23(25)26)11-20-16(2)24(14-17-5-8-19(28-4)9-6-17)22-10-7-18(27-3)13-21(20)22/h5-10,13,15H,11-12,14H2,1-4H3,(H,25,26)