ethanedioic acid; furan-2-yl-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone

Systemtic Name: ethanedioic acid; furan-2-yl-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone Openeye Name: 2-furyl-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid CAS Name: 2-furanyl-[4-[(3-phenoxyphenyl)methyl]-1-piperazinyl]methanone; oxalic acid IUPAC Name: furan-2-yl-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]methanone; oxalic acid Traditional Name: 2-furyl-[4-(3-phenoxybenzyl)piperazino]methanone; oxalic acid Formula: C24H24N2O7 MolecularWeight: 452.45656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)C4=CC=CO4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H22N2O3.C2H2O4/c25-22(21-10-5-15-26-21)24-13-11-23(12-14-24)17-18-6-4-9-20(16-18)27-19-7-2-1-3-8-19;3-1(4)2(5)6/h1-10,15-16H,11-14,17H2;(H,3,4)(H,5,6)