methyl 3-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate

Systemtic Name: methyl 3-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate Openeye Name: methyl 3-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]isoxazole-4-carboxylate CAS Name: 3-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)-1-piperazinyl]-4-isoxazolecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)piperazin-1-yl]-1,2-oxazole-4-carboxylate Traditional Name: 3-(4-chlorophenyl)-5-[4-(3-methoxyphenyl)piperazino]isoxazole-4-carboxylic acid methyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C3=C(C(=NO3)C4=CC=C(C=C4)Cl)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C3=C(C(=NO3)C4=CC=C(C=C4)Cl)C(=O)OC

InChI

InChI=1S/C22H22ClN3O4/c1-28-18-5-3-4-17(14-18)25-10-12-26(13-11-25)21-19(22(27)29-2)20(24-30-21)15-6-8-16(23)9-7-15/h3-9,14H,10-13H2,1-2H3