4-[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-indol-2-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-indol-2-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-indol-2-yl]oxy-4-oxo-butanoic acid CAS Name: 4-[[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-2-indolyl]oxy]-4-oxobutanoic acid IUPAC Name: 4-[5-(3,4-dimethylphenyl)-5-methoxy-3-methylindol-2-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[5-(3,4-dimethylphenyl)-5-methoxy-3-methyl-indol-2-yl]oxy-4-keto-butyric acid Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2(C=CC3=NC(=C(C3=C2)C)OC(=O)CCC(=O)O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2(C=CC3=NC(=C(C3=C2)C)OC(=O)CCC(=O)O)OC)C

InChI

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