methyl 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxidanylidene-pyridin-4-yl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxo-4-pyridyl]amino]-3-phenyl-propanoate CAS Name: 2-[[(3Z)-3-[6-(1-imidazolyl)-4-methyl-1,3-dihydrobenzimidazol-2-ylidene]-2-oxo-4-pyridinyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-oxopyridin-4-yl]amino]-3-phenylpropanoate Traditional Name: 2-[[(3Z)-3-(6-imidazol-1-yl-4-methyl-1,3-dihydrobenzimidazol-2-ylidene)-2-keto-4-pyridyl]amino]-3-phenyl-propionic acid methyl ester Formula: C26H24N6O3 MolecularWeight: 468.50716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC2=C1NC(=C3C(=CC=NC3=O)NC(CC4=CC=CC=C4)C(=O)OC)N2)N5C=CN=C5

Isomeric SMILES

CC1=CC(=CC2=C1N/C(=C\3/C(=CC=NC3=O)NC(CC4=CC=CC=C4)C(=O)OC)/N2)N5C=CN=C5

InChI

InChI=1S/C26H24N6O3/c1-16-12-18(32-11-10-27-15-32)14-20-23(16)31-24(30-20)22-19(8-9-28-25(22)33)29-21(26(34)35-2)13-17-6-4-3-5-7-17/h3-12,14-15,21,29-31H,13H2,1-2H3/b24-22-