ethanedioic acid; ethyl 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidine-3-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-methoxy-2,5-dimethyl-phenyl)methyl]piperidine-3-carboxylate; oxalic acid CAS Name: 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidine-3-carboxylate; oxalic acid Traditional Name: 1-(4-methoxy-2,5-dimethyl-benzyl)nipecotic acid ethyl ester; oxalic acid Formula: C20H29NO7 MolecularWeight: 395.44676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=CC(=C(C=C2C)OC)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=CC(=C(C=C2C)OC)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H27NO3.C2H2O4/c1-5-22-18(20)15-7-6-8-19(11-15)12-16-9-14(3)17(21-4)10-13(16)2;3-1(4)2(5)6/h9-10,15H,5-8,11-12H2,1-4H3;(H,3,4)(H,5,6)