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

Systemtic Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxidanylidene-2-pyridin-2-yl-azetidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxo-2-(2-pyridyl)azetidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-ethoxycarbonylphenyl)-4-oxo-2-(2-pyridinyl)-2-azetidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxo-2-pyridin-2-ylazetidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-carbethoxyphenyl)-4-keto-2-(2-pyridyl)azetidine-2-carbonyl]amino]benzoic acid ethyl ester Formula: C27H25N3O6 MolecularWeight: 487.5039

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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=CC=CC=N4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CC(=O)N2C3=CC=C(C=C3)C(=O)OCC)C4=CC=CC=N4

InChI

InChI=1S/C27H25N3O6/c1-3-35-24(32)18-8-12-20(13-9-18)29-26(34)27(22-7-5-6-16-28-22)17-23(31)30(27)21-14-10-19(11-15-21)25(33)36-4-2/h5-16H,3-4,17H2,1-2H3,(H,29,34)