2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]butan-1-one

Systemtic Name: 2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]butan-1-one Openeye Name: 2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidyl)methyl]pyrrolidin-1-yl]butan-1-one CAS Name: 2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenyl-1-piperidinyl)methyl]-1-pyrrolidinyl]-1-butanone IUPAC Name: 2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]butan-1-one Traditional Name: 2-ethyl-1-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidino)methyl]pyrrolidino]butan-1-one Formula: C28H38N2O MolecularWeight: 418.61412

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)N1CC(C(C1)C2=CC=CC=C2)CN3CCC(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC(CC)C(=O)N1C[C@@H]([C@H](C1)C2=CC=CC=C2)CN3CCC(CC3)C4=CC=CC=C4

InChI

InChI=1S/C28H38N2O/c1-3-22(4-2)28(31)30-20-26(27(21-30)25-13-9-6-10-14-25)19-29-17-15-24(16-18-29)23-11-7-5-8-12-23/h5-14,22,24,26-27H,3-4,15-21H2,1-2H3/t26-,27+/m0/s1