dimethyl 2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]propanedioate

Systemtic Name: dimethyl 2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]propanedioate Openeye Name: dimethyl 2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)isoxazol-4-yl]propanedioate CAS Name: 2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-4-isoxazolyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)-1,2-oxazol-4-yl]propanedioate Traditional Name: 2-[5-(4-chlorophenyl)-3-(4-methoxyphenyl)isoxazol-4-yl]malonic acid dimethyl ester Formula: C21H18ClNO6 MolecularWeight: 415.82372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2C(C(=O)OC)C(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2C(C(=O)OC)C(=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H18ClNO6/c1-26-15-10-6-12(7-11-15)18-16(17(20(24)27-2)21(25)28-3)19(29-23-18)13-4-8-14(22)9-5-13/h4-11,17H,1-3H3