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

Systemtic Name: 3-[7-(2,2-dimethylpropanoyloxy)-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxidanylidene-chromen-2-yl]propanoic acid Openeye Name: 3-[7-(2,2-dimethylpropanoyloxy)-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-2-yl]propanoic acid CAS Name: 3-[7-(2,2-dimethyl-1-oxopropoxy)-6-ethyl-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[7-(2,2-dimethylpropanoyloxy)-6-ethyl-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-2-yl]propanoic acid Traditional Name: 3-[6-ethyl-4-keto-3-(1-methylbenzimidazol-2-yl)-7-pivaloyloxy-chromen-2-yl]propionic acid Formula: C27H28N2O6 MolecularWeight: 476.52102

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H28N2O6/c1-6-15-13-16-21(14-20(15)35-26(33)27(2,3)4)34-19(11-12-22(30)31)23(24(16)32)25-28-17-9-7-8-10-18(17)29(25)5/h7-10,13-14H,6,11-12H2,1-5H3,(H,30,31)