ethanedioic acid; (phenylmethyl) 2-[2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]ethanoate

Systemtic Name: ethanedioic acid; (phenylmethyl) 2-[2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]ethanoate Openeye Name: benzyl 2-[2-[(3,4-dimethoxyphenyl)carbamoyl]-1-piperidyl]acetate; oxalic acid CAS Name: 2-[2-[(3,4-dimethoxyanilino)-oxomethyl]-1-piperidinyl]acetic acid (phenylmethyl) ester; oxalic acid IUPAC Name: benzyl 2-[2-[(3,4-dimethoxyphenyl)carbamoyl]piperidin-1-yl]acetate; oxalic acid Traditional Name: 2-[2-[(3,4-dimethoxyphenyl)carbamoyl]piperidino]acetic acid benzyl ester; oxalic acid Formula: C25H30N2O9 MolecularWeight: 502.5137

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2CCCCN2CC(=O)OCC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2CCCCN2CC(=O)OCC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H28N2O5.C2H2O4/c1-28-20-12-11-18(14-21(20)29-2)24-23(27)19-10-6-7-13-25(19)15-22(26)30-16-17-8-4-3-5-9-17;3-1(4)2(5)6/h3-5,8-9,11-12,14,19H,6-7,10,13,15-16H2,1-2H3,(H,24,27);(H,3,4)(H,5,6)