ethyl 4-[[2-(1H-benzimidazol-2-yl)-1-(4-ethoxycarbonylphenyl)-4-oxidanylidene-azetidin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[2-(1H-benzimidazol-2-yl)-1-(4-ethoxycarbonylphenyl)-4-oxidanylidene-azetidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[2-(1H-benzimidazol-2-yl)-1-(4-ethoxycarbonylphenyl)-4-oxo-azetidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[2-(1H-benzimidazol-2-yl)-1-(4-ethoxycarbonylphenyl)-4-oxo-2-azetidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1H-benzimidazol-2-yl)-1-(4-ethoxycarbonylphenyl)-4-oxoazetidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[2-(1H-benzimidazol-2-yl)-1-(4-carbethoxyphenyl)-4-keto-azetidine-2-carbonyl]amino]benzoic acid ethyl ester Formula: C29H26N4O6 MolecularWeight: 526.53994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CC(=O)N2C3=CC=C(C=C3)C(=O)OCC)C4=NC5=CC=CC=C5N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CC(=O)N2C3=CC=C(C=C3)C(=O)OCC)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C29H26N4O6/c1-3-38-25(35)18-9-13-20(14-10-18)30-28(37)29(27-31-22-7-5-6-8-23(22)32-27)17-24(34)33(29)21-15-11-19(12-16-21)26(36)39-4-2/h5-16H,3-4,17H2,1-2H3,(H,30,37)(H,31,32)