2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-3-(3-oxidanylpropyl)-2H-indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-3-(3-oxidanylpropyl)-2H-indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-chlorobenzoyl)-3-(3-hydroxypropyl)-5-methoxy-2-methyl-indolin-3-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-3-(3-hydroxypropyl)-5-methoxy-2-methyl-2H-indol-3-yl]acetic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)-3-(3-hydroxypropyl)-5-methoxy-2-methyl-2H-indol-3-yl]acetic acid Traditional Name: 2-[1-(4-chlorobenzoyl)-3-(3-hydroxypropyl)-5-methoxy-2-methyl-indolin-3-yl]acetic acid Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)(CCCO)CC(=O)O

Isomeric SMILES

CC1C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OC)(CCCO)CC(=O)O

InChI

InChI=1S/C22H24ClNO5/c1-14-22(10-3-11-25,13-20(26)27)18-12-17(29-2)8-9-19(18)24(14)21(28)15-4-6-16(23)7-5-15/h4-9,12,14,25H,3,10-11,13H2,1-2H3,(H,26,27)