ethanedioic acid; 4-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzaldehyde

Systemtic Name: ethanedioic acid; 4-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzaldehyde Openeye Name: 4-[3-(4-benzylpiperazin-1-yl)propoxy]benzaldehyde; oxalic acid CAS Name: oxalic acid; 4-[3-[4-(phenylmethyl)-1-piperazinyl]propoxy]benzaldehyde IUPAC Name: 4-[3-(4-benzylpiperazin-1-yl)propoxy]benzaldehyde; oxalic acid Traditional Name: 4-[3-(4-benzylpiperazino)propoxy]benzaldehyde; oxalic acid Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCOC2=CC=C(C=C2)C=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CCCOC2=CC=C(C=C2)C=O)CC3=CC=CC=C3.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H26N2O2.C2H2O4/c24-18-20-7-9-21(10-8-20)25-16-4-11-22-12-14-23(15-13-22)17-19-5-2-1-3-6-19;3-1(4)2(5)6/h1-3,5-10,18H,4,11-17H2;(H,3,4)(H,5,6)