ethanedioic acid; ethyl 3-[(4-methylphenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 3-[(4-methylphenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 3-(p-tolylmethyl)piperidine-3-carboxylate; oxalic acid CAS Name: 3-[(4-methylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 3-[(4-methylphenyl)methyl]piperidine-3-carboxylate; oxalic acid Traditional Name: 3-(4-methylbenzyl)nipecotic acid ethyl ester; oxalic acid Formula: C18H25NO6 MolecularWeight: 351.3942

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1(CCCNC1)CC2=CC=C(C=C2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H23NO2.C2H2O4/c1-3-19-15(18)16(9-4-10-17-12-16)11-14-7-5-13(2)6-8-14;3-1(4)2(5)6/h5-8,17H,3-4,9-12H2,1-2H3;(H,3,4)(H,5,6)