3-[6-hexyl-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoic acid

Systemtic Name: 3-[6-hexyl-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoic acid Openeye Name: 3-[6-hexyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-2-yl]propanoic acid CAS Name: 3-[6-hexyl-7-hydroxy-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-hexyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-2-yl]propanoic acid Traditional Name: 3-[6-hexyl-7-hydroxy-4-keto-3-(1-methylbenzimidazol-2-yl)chromen-2-yl]propionic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCC(=O)O)C3=NC4=CC=CC=C4N3C)O

Isomeric SMILES

CCCCCCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCC(=O)O)C3=NC4=CC=CC=C4N3C)O

InChI

InChI=1S/C26H28N2O5/c1-3-4-5-6-9-16-14-17-22(15-20(16)29)33-21(12-13-23(30)31)24(25(17)32)26-27-18-10-7-8-11-19(18)28(26)2/h7-8,10-11,14-15,29H,3-6,9,12-13H2,1-2H3,(H,30,31)