4-[7-(2,2-dimethylpropanoyloxy)-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-2-yl]butanoic acid

Systemtic Name: 4-[7-(2,2-dimethylpropanoyloxy)-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-2-yl]butanoic acid Openeye Name: 4-[7-(2,2-dimethylpropanoyloxy)-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-2-yl]butanoic acid CAS Name: 4-[7-(2,2-dimethyl-1-oxopropoxy)-6-ethyl-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-2-yl]butanoic acid IUPAC Name: 4-[7-(2,2-dimethylpropanoyloxy)-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-2-yl]butanoic acid Traditional Name: 4-[6-ethyl-4-keto-3-(1-methylbenzimidazol-2-yl)-7-pivaloyloxy-chromen-2-yl]butyric acid Formula: C28H30N2O6 MolecularWeight: 490.5476

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCCC(=O)O)C3=NC4=CC=CC=C4N3C)OC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCCC(=O)O)C3=NC4=CC=CC=C4N3C)OC(=O)C(C)(C)C

InChI

InChI=1S/C28H30N2O6/c1-6-16-14-17-22(15-21(16)36-27(34)28(2,3)4)35-20(12-9-13-23(31)32)24(25(17)33)26-29-18-10-7-8-11-19(18)30(26)5/h7-8,10-11,14-15H,6,9,12-13H2,1-5H3,(H,31,32)