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

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-2-methyl-5-(3-oxidanylpropoxy)indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-chlorobenzoyl)-5-(3-hydroxypropoxy)-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-5-(3-hydroxypropoxy)-2-methyl-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-(3-hydroxypropoxy)-2-methylindol-3-yl]acetic acid Traditional Name: 2-[1-(4-chlorobenzoyl)-5-(3-hydroxypropoxy)-2-methyl-indol-3-yl]acetic acid Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OCCCO)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OCCCO)CC(=O)O

InChI

InChI=1S/C21H20ClNO5/c1-13-17(12-20(25)26)18-11-16(28-10-2-9-24)7-8-19(18)23(13)21(27)14-3-5-15(22)6-4-14/h3-8,11,24H,2,9-10,12H2,1H3,(H,25,26)