[2-acetyloxy-4-[1-(phenylmethyl)piperidin-3-yl]phenyl] ethanoate; ethanedioic acid

Systemtic Name: [2-acetyloxy-4-[1-(phenylmethyl)piperidin-3-yl]phenyl] ethanoate; ethanedioic acid Openeye Name: [2-acetoxy-4-(1-benzyl-3-piperidyl)phenyl] acetate; oxalic acid CAS Name: acetic acid [2-acetyloxy-4-[1-(phenylmethyl)-3-piperidinyl]phenyl] ester; oxalic acid IUPAC Name: [2-acetyloxy-4-(1-benzylpiperidin-3-yl)phenyl] acetate; oxalic acid Traditional Name: acetic acid [2-acetoxy-4-(1-benzyl-3-piperidyl)phenyl] ester; oxalic acid Formula: C24H27NO8 MolecularWeight: 457.47308

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2CCCN(C2)CC3=CC=CC=C3)OC(=O)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2CCCN(C2)CC3=CC=CC=C3)OC(=O)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H25NO4.C2H2O4/c1-16(24)26-21-11-10-19(13-22(21)27-17(2)25)20-9-6-12-23(15-20)14-18-7-4-3-5-8-18;3-1(4)2(5)6/h3-5,7-8,10-11,13,20H,6,9,12,14-15H2,1-2H3;(H,3,4)(H,5,6)