ethyl 3-[[(E)-2-methylbut-2-enoyl]amino]-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate

Systemtic Name: ethyl 3-[[(E)-2-methylbut-2-enoyl]amino]-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate Openeye Name: ethyl 3-[[(E)-2-methylbut-2-enoyl]amino]-4-[2-(2-pyridyl)benzimidazol-1-yl]benzoate CAS Name: 3-[[(E)-2-methyl-1-oxobut-2-enyl]amino]-4-[2-(2-pyridinyl)-1-benzimidazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(E)-2-methylbut-2-enoyl]amino]-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate Traditional Name: 3-[[(E)-2-methylbut-2-enoyl]amino]-4-[2-(2-pyridyl)benzimidazol-1-yl]benzoic acid ethyl ester Formula: C26H24N4O3 MolecularWeight: 440.49376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC=N4)NC(=O)C(=CC)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2C3=CC=CC=C3N=C2C4=CC=CC=N4)NC(=O)/C(=C/C)/C

InChI

InChI=1S/C26H24N4O3/c1-4-17(3)25(31)29-21-16-18(26(32)33-5-2)13-14-23(21)30-22-12-7-6-10-19(22)28-24(30)20-11-8-9-15-27-20/h4,6-16H,5H2,1-3H3,(H,29,31)/b17-4+