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

Systemtic Name: 3-[6-ethyl-3-(1-methylbenzimidazol-2-yl)-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoic acid Openeye Name: 3-[6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxo-chromen-2-yl]propanoic acid CAS Name: 3-[6-ethyl-7-hydroxy-3-(1-methyl-2-benzimidazolyl)-4-oxo-1-benzopyran-2-yl]propanoic acid IUPAC Name: 3-[6-ethyl-7-hydroxy-3-(1-methylbenzimidazol-2-yl)-4-oxochromen-2-yl]propanoic acid Traditional Name: 3-[6-ethyl-7-hydroxy-4-keto-3-(1-methylbenzimidazol-2-yl)chromen-2-yl]propionic acid Formula: C22H20N2O5 MolecularWeight: 392.4046

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O5/c1-3-12-10-13-18(11-16(12)25)29-17(8-9-19(26)27)20(21(13)28)22-23-14-6-4-5-7-15(14)24(22)2/h4-7,10-11,25H,3,8-9H2,1-2H3,(H,26,27)