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

Systemtic Name: ethyl 1-(2-methylpropyl)-4-phenyl-3,5-bis(piperidin-1-ylmethyl)piperidine-4-carboxylate Openeye Name: ethyl 1-isobutyl-4-phenyl-3,5-bis(1-piperidylmethyl)piperidine-4-carboxylate CAS Name: 1-(2-methylpropyl)-4-phenyl-3,5-bis(1-piperidinylmethyl)-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-methylpropyl)-4-phenyl-3,5-bis(piperidin-1-ylmethyl)piperidine-4-carboxylate Traditional Name: 1-isobutyl-4-phenyl-3,5-bis(piperidinomethyl)isonipecotic acid ethyl ester Formula: C30H49N3O2 MolecularWeight: 483.72896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(CN(CC1CN2CCCCC2)CC(C)C)CN3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(C(CN(CC1CN2CCCCC2)CC(C)C)CN3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C30H49N3O2/c1-4-35-29(34)30(26-14-8-5-9-15-26)27(21-31-16-10-6-11-17-31)23-33(20-25(2)3)24-28(30)22-32-18-12-7-13-19-32/h5,8-9,14-15,25,27-28H,4,6-7,10-13,16-24H2,1-3H3