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

Systemtic Name: 4-[6-hexyl-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]butanoic acid Openeye Name: 4-[6-hexyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-2-yl]butanoic acid CAS Name: 4-[6-hexyl-7-hydroxy-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-2-yl]butanoic acid IUPAC Name: 4-[6-hexyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-2-yl]butanoic acid Traditional Name: 4-[6-hexyl-7-hydroxy-4-keto-3-(1-methylbenzimidazol-2-yl)chromen-2-yl]butyric acid Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H30N2O5/c1-3-4-5-6-10-17-15-18-23(16-21(17)30)34-22(13-9-14-24(31)32)25(26(18)33)27-28-19-11-7-8-12-20(19)29(27)2/h7-8,11-12,15-16,30H,3-6,9-10,13-14H2,1-2H3,(H,31,32)