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

Systemtic Name: 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 CAS Name: 1-(2-methylpropyl)-3,5-bis(4-morpholinylmethyl)-4-phenyl-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylpropyl)-3,5-bis(morpholin-4-ylmethyl)-4-phenylpiperidine-4-carboxylate Traditional Name: 1-isobutyl-3,5-bis(morpholinomethyl)-4-phenyl-isonipecotic acid ethyl ester Formula: C28H45N3O4 MolecularWeight: 487.6746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H45N3O4/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/h5-9,23,25-26H,4,10-22H2,1-3H3