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

Systemtic Name: 3-[[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]methyl]pentanoic acid Openeye Name: 3-[[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]methyl]pentanoic acid CAS Name: 3-[[5-methoxy-2-methyl-1-[[4-(methylthio)phenyl]methyl]-3-indolyl]methyl]pentanoic acid IUPAC Name: 3-[[5-methoxy-2-methyl-1-[(4-methylsulfanylphenyl)methyl]indol-3-yl]methyl]pentanoic acid Traditional Name: 3-[[5-methoxy-2-methyl-1-[4-(methylthio)benzyl]indol-3-yl]methyl]valeric acid Formula: C24H29NO3S MolecularWeight: 411.55696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO3S/c1-5-17(13-24(26)27)12-21-16(2)25(15-18-6-9-20(29-4)10-7-18)23-11-8-19(28-3)14-22(21)23/h6-11,14,17H,5,12-13,15H2,1-4H3,(H,26,27)