ethanedioic acid; ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenyl-piperidine-4-carboxylate

Systemtic Name: ethanedioic acid; ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenyl-piperidine-4-carboxylate Openeye Name: ethyl 1-isobutyl-3,5-bis(morpholinomethyl)-4-phenyl-piperidine-4-carboxylate; oxalic acid CAS Name: 1-(2-methylpropyl)-3,5-bis(4-morpholinylmethyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester; oxalic acid IUPAC Name: ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenylpiperidine-4-carboxylate; oxalic acid Traditional Name: 1-isobutyl-3,5-bis(morpholinomethyl)-4-phenyl-isonipecotic acid ethyl ester; oxalic acid Formula: C30H47N3O8 MolecularWeight: 577.70948

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CN(CC1CN2CCOCC2)CC(C)C)CN3CCOCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)C1(C(CN(CC1CN2CCOCC2)CC(C)C)CN3CCOCC3)C4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C28H45N3O4.C2H2O4/c1-4-35-27(32)28(24-8-6-5-7-9-24)25(19-29-10-14-33-15-11-29)21-31(18-23(2)3)22-26(28)20-30-12-16-34-17-13-30;3-1(4)2(5)6/h5-9,23,25-26H,4,10-22H2,1-3H3;(H,3,4)(H,5,6)