ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxidanylidene-2-quinolin-6-yl-azetidin-2-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxidanylidene-2-quinolin-6-yl-azetidin-2-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxo-2-(6-quinolyl)azetidine-2-carbonyl]amino]benzoate CAS Name: 4-[[[1-(4-ethoxycarbonylphenyl)-4-oxo-2-(6-quinolinyl)-2-azetidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-(4-ethoxycarbonylphenyl)-4-oxo-2-quinolin-6-ylazetidine-2-carbonyl]amino]benzoate Traditional Name: 4-[[1-(4-carbethoxyphenyl)-4-keto-2-(6-quinolyl)azetidine-2-carbonyl]amino]benzoic acid ethyl ester Formula: C31H27N3O6 MolecularWeight: 537.56258

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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=CC5=C(C=C4)N=CC=C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2(CC(=O)N2C3=CC=C(C=C3)C(=O)OCC)C4=CC5=C(C=C4)N=CC=C5

InChI

InChI=1S/C31H27N3O6/c1-3-39-28(36)20-7-12-24(13-8-20)33-30(38)31(23-11-16-26-22(18-23)6-5-17-32-26)19-27(35)34(31)25-14-9-21(10-15-25)29(37)40-4-2/h5-18H,3-4,19H2,1-2H3,(H,33,38)