5-chloranyl-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]benzaldehyde; ethanedioic acid

Systemtic Name: 5-chloranyl-2-[2-[4-(phenylmethyl)piperidin-1-yl]ethoxy]benzaldehyde; ethanedioic acid Openeye Name: 2-[2-(4-benzyl-1-piperidyl)ethoxy]-5-chloro-benzaldehyde; oxalic acid CAS Name: 5-chloro-2-[2-[4-(phenylmethyl)-1-piperidinyl]ethoxy]benzaldehyde; oxalic acid IUPAC Name: 2-[2-(4-benzylpiperidin-1-yl)ethoxy]-5-chlorobenzaldehyde; oxalic acid Traditional Name: 2-[2-(4-benzylpiperidino)ethoxy]-5-chloro-benzaldehyde; oxalic acid Formula: C23H26ClNO6 MolecularWeight: 447.90864

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CCOC3=C(C=C(C=C3)Cl)C=O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)CCOC3=C(C=C(C=C3)Cl)C=O.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H24ClNO2.C2H2O4/c22-20-6-7-21(19(15-20)16-24)25-13-12-23-10-8-18(9-11-23)14-17-4-2-1-3-5-17;3-1(4)2(5)6/h1-7,15-16,18H,8-14H2;(H,3,4)(H,5,6)