4-[4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-phenoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-phenoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-phenoxy]-4-oxo-butanoic acid CAS Name: 4-[4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenoxy]-4-oxobutanoic acid IUPAC Name: 4-[4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethylphenoxy]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(5-methoxy-3-methyl-1H-indol-2-yl)-2,6-dimethyl-phenoxy]butyric acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CCC(=O)O)C)C2=C(C3=C(N2)C=CC(=C3)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CCC(=O)O)C)C2=C(C3=C(N2)C=CC(=C3)OC)C

InChI

InChI=1S/C22H23NO5/c1-12-9-15(10-13(2)22(12)28-20(26)8-7-19(24)25)21-14(3)17-11-16(27-4)5-6-18(17)23-21/h5-6,9-11,23H,7-8H2,1-4H3,(H,24,25)