3-[3-(1H-benzimidazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoate

Systemtic Name: 3-[3-(1H-benzimidazol-2-yl)-6-ethyl-7-oxidanyl-4-oxidanylidene-chromen-2-yl]propanoate Openeye Name: 3-[3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-chromen-2-yl]propanoate CAS Name: 3-[3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-oxo-1-benzopyran-2-yl]propanoate IUPAC Name: 3-[3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-oxochromen-2-yl]propanoate Traditional Name: 3-[3-(1H-benzimidazol-2-yl)-6-ethyl-7-hydroxy-4-keto-chromen-2-yl]propionate Formula: C21H17N2O5- MolecularWeight: 377.37008

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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=C4N3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=O)C(=C(O2)CCC(=O)[O-])C3=NC4=CC=CC=C4N3)O

InChI

InChI=1S/C21H18N2O5/c1-2-11-9-12-17(10-15(11)24)28-16(7-8-18(25)26)19(20(12)27)21-22-13-5-3-4-6-14(13)23-21/h3-6,9-10,24H,2,7-8H2,1H3,(H,22,23)(H,25,26)/p-1