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

Systemtic Name: dimethyl 2-acetamido-2-[(3-ethoxy-4-phenethyl-1,2-oxazol-5-yl)methyl]propanedioate Openeye Name: dimethyl 2-acetamido-2-[(3-ethoxy-4-phenethyl-isoxazol-5-yl)methyl]propanedioate CAS Name: 2-acetamido-2-[(3-ethoxy-4-phenethyl-5-isoxazolyl)methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-acetamido-2-[(3-ethoxy-4-phenethyl-1,2-oxazol-5-yl)methyl]propanedioate Traditional Name: 2-acetamido-2-[(3-ethoxy-4-phenethyl-isoxazol-5-yl)methyl]malonic acid dimethyl ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NOC(=C1CCC2=CC=CC=C2)CC(C(=O)OC)(C(=O)OC)NC(=O)C

Isomeric SMILES

CCOC1=NOC(=C1CCC2=CC=CC=C2)CC(C(=O)OC)(C(=O)OC)NC(=O)C

InChI

InChI=1S/C21H26N2O7/c1-5-29-18-16(12-11-15-9-7-6-8-10-15)17(30-23-18)13-21(19(25)27-3,20(26)28-4)22-14(2)24/h6-10H,5,11-13H2,1-4H3,(H,22,24)