ethanedioic acid; 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole

Systemtic Name: ethanedioic acid; 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole Openeye Name: 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3,5-dimethyl-isoxazole; oxalic acid CAS Name: 4-[[4-(3-methoxyphenyl)-1-piperazinyl]methyl]-3,5-dimethylisoxazole; oxalic acid IUPAC Name: 4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3,5-dimethyl-1,2-oxazole; oxalic acid Traditional Name: 4-[[4-(3-methoxyphenyl)piperazino]methyl]-3,5-dimethyl-isoxazole; oxalic acid Formula: C19H25N3O6 MolecularWeight: 391.4183

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=NO1)C)CN2CCN(CC2)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H23N3O2.C2H2O4/c1-13-17(14(2)22-18-13)12-19-7-9-20(10-8-19)15-5-4-6-16(11-15)21-3;3-1(4)2(5)6/h4-6,11H,7-10,12H2,1-3H3;(H,3,4)(H,5,6)