dimethyl 2-acetamido-2-[(3-methoxy-5-quinolin-2-yl-1,2-oxazol-4-yl)methyl]propanedioate

Systemtic Name: dimethyl 2-acetamido-2-[(3-methoxy-5-quinolin-2-yl-1,2-oxazol-4-yl)methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[[3-methoxy-5-(2-quinolyl)isoxazol-4-yl]methyl]propanedioate CAS Name: 2-acetamido-2-[[3-methoxy-5-(2-quinolinyl)-4-isoxazolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[(3-methoxy-5-quinolin-2-yl-1,2-oxazol-4-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[[3-methoxy-5-(2-quinolyl)isoxazol-4-yl]methyl]malonic acid dimethyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=C(ON=C1OC)C2=NC3=CC=CC=C3C=C2)(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC(CC1=C(ON=C1OC)C2=NC3=CC=CC=C3C=C2)(C(=O)OC)C(=O)OC

InChI

InChI=1S/C21H21N3O7/c1-12(25)23-21(19(26)29-3,20(27)30-4)11-14-17(31-24-18(14)28-2)16-10-9-13-7-5-6-8-15(13)22-16/h5-10H,11H2,1-4H3,(H,23,25)