ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: ethanedioic acid; [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid CAS Name: [4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-(3-methoxyphenyl)methanone; oxalic acid IUPAC Name: [4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-(3-methoxyphenyl)methanone; oxalic acid Traditional Name: [4-(4-ethoxybenzyl)piperazino]-(3-methoxyphenyl)methanone; oxalic acid Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)OC.C(=O)(C(=O)O)O

InChI

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