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

Systemtic Name: methyl 3-[[2-azanylidene-3-(1H-benzimidazol-2-yl)chromen-7-yl]-ethyl-amino]propanoate Openeye Name: methyl 3-[[3-(1H-benzimidazol-2-yl)-2-imino-chromen-7-yl]-ethyl-amino]propanoate CAS Name: 3-[[3-(1H-benzimidazol-2-yl)-2-imino-1-benzopyran-7-yl]-ethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[3-(1H-benzimidazol-2-yl)-2-iminochromen-7-yl]-ethylamino]propanoate Traditional Name: 3-[[3-(1H-benzimidazol-2-yl)-2-imino-chromen-7-yl]-ethyl-amino]propionic acid methyl ester Formula: C22H22N4O3 MolecularWeight: 390.43508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3/c1-3-26(11-10-20(27)28-2)15-9-8-14-12-16(21(23)29-19(14)13-15)22-24-17-6-4-5-7-18(17)25-22/h4-9,12-13,23H,3,10-11H2,1-2H3,(H,24,25)