ethyl 3-(pent-4-enoylamino)-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate

Systemtic Name: ethyl 3-(pent-4-enoylamino)-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate Openeye Name: ethyl 3-(pent-4-enoylamino)-4-[2-(2-pyridyl)benzimidazol-1-yl]benzoate CAS Name: 3-(1-oxopent-4-enylamino)-4-[2-(2-pyridinyl)-1-benzimidazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-(pent-4-enoylamino)-4-(2-pyridin-2-ylbenzimidazol-1-yl)benzoate Traditional Name: 3-(pent-4-enoylamino)-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)CCC=C

Isomeric SMILES

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

InChI

InChI=1S/C26H24N4O3/c1-3-5-13-24(31)28-21-17-18(26(32)33-4-2)14-15-23(21)30-22-12-7-6-10-19(22)29-25(30)20-11-8-9-16-27-20/h3,6-12,14-17H,1,4-5,13H2,2H3,(H,28,31)