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

Systemtic Name: ethanedioic acid; ethyl 4-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]carbonylpiperazine-1-carboxylate Openeye Name: ethyl 4-[1-[(4-benzyloxy-3-methoxy-phenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid CAS Name: 4-[[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinyl]-oxomethyl]-1-piperazinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 4-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carbonyl]piperazine-1-carboxylate; oxalic acid Traditional Name: 4-[1-(4-benzoxy-3-methoxy-benzyl)isonipecotoyl]piperazine-1-carboxylic acid ethyl ester; oxalic acid Formula: C30H39N3O9 MolecularWeight: 585.64536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2CCN(CC2)CC3=CC(=C(C=C3)OCC4=CC=CC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H37N3O5.C2H2O4/c1-3-35-28(33)31-17-15-30(16-18-31)27(32)24-11-13-29(14-12-24)20-23-9-10-25(26(19-23)34-2)36-21-22-7-5-4-6-8-22;3-1(4)2(5)6/h4-10,19,24H,3,11-18,20-21H2,1-2H3;(H,3,4)(H,5,6)