ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxidanylidene-2-pyridin-3-yl-azetidin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxidanylidene-2-pyridin-3-yl-azetidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxo-2-(3-pyridyl)azetidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-ethoxycarbonylphenyl)-4-oxo-2-(3-pyridinyl)-2-azetidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxo-2-pyridin-3-ylazetidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-carbethoxyphenyl)-4-keto-2-(3-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=CN=CC=C4

Isomeric SMILES

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

InChI

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