ethanedioic acid; ethyl 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-4-carboxylate; oxalic acid CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylate; oxalic acid Traditional Name: 1-(4-benzoxy-3-methoxy-benzyl)isonipecotic acid ethyl ester; oxalic acid Formula: C25H31NO8 MolecularWeight: 473.51554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)CC2=CC(=C(C=C2)OCC3=CC=CC=C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H29NO4.C2H2O4/c1-3-27-23(25)20-11-13-24(14-12-20)16-19-9-10-21(22(15-19)26-2)28-17-18-7-5-4-6-8-18;3-1(4)2(5)6/h4-10,15,20H,3,11-14,16-17H2,1-2H3;(H,3,4)(H,5,6)