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

Systemtic Name: 3-[5-methoxy-3-methyl-1-[(4-methylsulfinylphenyl)methyl]indol-2-yl]propanoic acid Openeye Name: 3-[5-methoxy-3-methyl-1-[(4-methylsulfinylphenyl)methyl]indol-2-yl]propanoic acid CAS Name: 3-[5-methoxy-3-methyl-1-[(4-methylsulfinylphenyl)methyl]-2-indolyl]propanoic acid IUPAC Name: 3-[5-methoxy-3-methyl-1-[(4-methylsulfinylphenyl)methyl]indol-2-yl]propanoic acid Traditional Name: 3-[5-methoxy-3-methyl-1-(4-methylsulfinylbenzyl)indol-2-yl]propionic acid Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-14-18-12-16(26-2)6-9-20(18)22(19(14)10-11-21(23)24)13-15-4-7-17(8-5-15)27(3)25/h4-9,12H,10-11,13H2,1-3H3,(H,23,24)