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

Systemtic Name: 3-[[2-azanylidene-3-(1H-benzimidazol-2-yl)chromen-7-yl]-ethyl-amino]propanoic acid Openeye Name: 3-[[3-(1H-benzimidazol-2-yl)-2-imino-chromen-7-yl]-ethyl-amino]propanoic acid CAS Name: 3-[[3-(1H-benzimidazol-2-yl)-2-imino-1-benzopyran-7-yl]-ethylamino]propanoic acid IUPAC Name: 3-[[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]-ethylamino]propanoic acid Traditional Name: 3-[[3-(1H-benzimidazol-2-yl)-2-imino-chromen-7-yl]-ethyl-amino]propionic acid Formula: C21H20N4O3 MolecularWeight: 376.4085

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O3/c1-2-25(10-9-19(26)27)14-8-7-13-11-15(20(22)28-18(13)12-14)21-23-16-5-3-4-6-17(16)24-21/h3-8,11-12,22H,2,9-10H2,1H3,(H,23,24)(H,26,27)