2-[3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-oxidanylidene-chromen-4-yl]benzoic acid

Systemtic Name: 2-[3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-oxidanylidene-chromen-4-yl]benzoic acid Openeye Name: 2-[3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-oxo-chromen-4-yl]benzoic acid CAS Name: 2-[3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-oxo-1-benzopyran-4-yl]benzoic acid IUPAC Name: 2-[3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-oxochromen-4-yl]benzoic acid Traditional Name: 2-[3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-keto-chromen-4-yl]benzoic acid Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5C(=O)O

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)C(=C(C(=O)O2)C3=NC4=CC=CC=C4N3)C5=CC=CC=C5C(=O)O

InChI

InChI=1S/C27H23N3O4/c1-3-30(4-2)16-13-14-19-22(15-16)34-27(33)24(25-28-20-11-7-8-12-21(20)29-25)23(19)17-9-5-6-10-18(17)26(31)32/h5-15H,3-4H2,1-2H3,(H,28,29)(H,31,32)