3-[[3-(1H-benzimidazol-2-yl)-2-oxidanylidene-chromen-7-yl]-ethyl-amino]propanoic acid

Systemtic Name: 3-[[3-(1H-benzimidazol-2-yl)-2-oxidanylidene-chromen-7-yl]-ethyl-amino]propanoic acid Openeye Name: 3-[[3-(1H-benzimidazol-2-yl)-2-oxo-chromen-7-yl]-ethyl-amino]propanoic acid CAS Name: 3-[[3-(1H-benzimidazol-2-yl)-2-oxo-1-benzopyran-7-yl]-ethylamino]propanoic acid IUPAC Name: 3-[[3-(1H-benzimidazol-2-yl)-2-oxochromen-7-yl]-ethylamino]propanoic acid Traditional Name: 3-[[3-(1H-benzimidazol-2-yl)-2-keto-chromen-7-yl]-ethyl-amino]propionic acid Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-2-24(10-9-19(25)26)14-8-7-13-11-15(21(27)28-18(13)12-14)20-22-16-5-3-4-6-17(16)23-20/h3-8,11-12H,2,9-10H2,1H3,(H,22,23)(H,25,26)