3-[6-chloranyl-1-(2-ethylbutanoyloxy)-2-(3-methylphenyl)carbonyl-indol-3-yl]oxy-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[6-chloranyl-1-(2-ethylbutanoyloxy)-2-(3-methylphenyl)carbonyl-indol-3-yl]oxy-3-oxidanylidene-propanoic acid Openeye Name: 3-[6-chloro-1-(2-ethylbutanoyloxy)-2-(3-methylbenzoyl)indol-3-yl]oxy-3-oxo-propanoic acid CAS Name: 3-[[6-chloro-1-(2-ethyl-1-oxobutoxy)-2-[(3-methylphenyl)-oxomethyl]-3-indolyl]oxy]-3-oxopropanoic acid IUPAC Name: 3-[6-chloro-1-(2-ethylbutanoyloxy)-2-(3-methylbenzoyl)indol-3-yl]oxy-3-oxopropanoic acid Traditional Name: 3-[6-chloro-1-(2-ethylbutanoyloxy)-2-m-toluoyl-indol-3-yl]oxy-3-keto-propionic acid Formula: C25H24ClNO7 MolecularWeight: 485.91356

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)ON1C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=CC(=CC=C3)C)OC(=O)CC(=O)O

Isomeric SMILES

CCC(CC)C(=O)ON1C2=C(C=CC(=C2)Cl)C(=C1C(=O)C3=CC(=CC=C3)C)OC(=O)CC(=O)O

InChI

InChI=1S/C25H24ClNO7/c1-4-15(5-2)25(32)34-27-19-12-17(26)9-10-18(19)24(33-21(30)13-20(28)29)22(27)23(31)16-8-6-7-14(3)11-16/h6-12,15H,4-5,13H2,1-3H3,(H,28,29)