ethanedioic acid; methyl 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzoate

Systemtic Name: ethanedioic acid; methyl 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzoate; oxalic acid CAS Name: 4-[[4-(2-ethoxyphenyl)-1-piperazinyl]methyl]benzoic acid methyl ester; oxalic acid IUPAC Name: methyl 4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]benzoate; oxalic acid Traditional Name: 4-[(4-o-phenetylpiperazino)methyl]benzoic acid methyl ester; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)CC3=CC=C(C=C3)C(=O)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O3.C2H2O4/c1-3-26-20-7-5-4-6-19(20)23-14-12-22(13-15-23)16-17-8-10-18(11-9-17)21(24)25-2;3-1(4)2(5)6/h4-11H,3,12-16H2,1-2H3;(H,3,4)(H,5,6)