5-chloranyl-2-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzaldehyde; ethanedioic acid

Systemtic Name: 5-chloranyl-2-[3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzaldehyde; ethanedioic acid Openeye Name: 2-[3-(4-benzylpiperazin-1-yl)propoxy]-5-chloro-benzaldehyde; oxalic acid CAS Name: 5-chloro-2-[3-[4-(phenylmethyl)-1-piperazinyl]propoxy]benzaldehyde; oxalic acid IUPAC Name: 2-[3-(4-benzylpiperazin-1-yl)propoxy]-5-chlorobenzaldehyde; oxalic acid Traditional Name: 2-[3-(4-benzylpiperazino)propoxy]-5-chloro-benzaldehyde; oxalic acid Formula: C23H27ClN2O6 MolecularWeight: 462.92328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN2O2.C2H2O4/c22-20-7-8-21(19(15-20)17-25)26-14-4-9-23-10-12-24(13-11-23)16-18-5-2-1-3-6-18;3-1(4)2(5)6/h1-3,5-8,15,17H,4,9-14,16H2;(H,3,4)(H,5,6)