ethanedioic acid; ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]furan-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]furan-3-carboxylate Openeye Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]furan-3-carboxylate; oxalic acid CAS Name: 2-[[4-(2,3-dimethylphenyl)-1-piperazinyl]methyl]-3-furancarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 2-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]furan-3-carboxylate; oxalic acid Traditional Name: 2-[[4-(2,3-dimethylphenyl)piperazino]methyl]furan-3-carboxylic acid ethyl ester; oxalic acid Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)C3=CC=CC(=C3C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)CN2CCN(CC2)C3=CC=CC(=C3C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O3.C2H2O4/c1-4-24-20(23)17-8-13-25-19(17)14-21-9-11-22(12-10-21)18-7-5-6-15(2)16(18)3;3-1(4)2(5)6/h5-8,13H,4,9-12,14H2,1-3H3;(H,3,4)(H,5,6)