(2S)-2-azanyl-4-[(2-phenylmethoxyphenyl)methylamino]-1-piperidin-1-yl-butan-1-one

Systemtic Name: (2S)-2-azanyl-4-[(2-phenylmethoxyphenyl)methylamino]-1-piperidin-1-yl-butan-1-one Openeye Name: (2S)-2-amino-4-[(2-benzyloxyphenyl)methylamino]-1-(1-piperidyl)butan-1-one CAS Name: (2S)-2-amino-4-[(2-phenylmethoxyphenyl)methylamino]-1-(1-piperidinyl)-1-butanone IUPAC Name: (2S)-2-amino-4-[(2-phenylmethoxyphenyl)methylamino]-1-piperidin-1-ylbutan-1-one Traditional Name: (2S)-2-amino-4-[(2-benzoxybenzyl)amino]-1-piperidino-butan-1-one Formula: C23H31N3O2 MolecularWeight: 381.51114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(CCNCC2=CC=CC=C2OCC3=CC=CC=C3)N

Isomeric SMILES

C1CCN(CC1)C(=O)[C@H](CCNCC2=CC=CC=C2OCC3=CC=CC=C3)N

InChI

InChI=1S/C23H31N3O2/c24-21(23(27)26-15-7-2-8-16-26)13-14-25-17-20-11-5-6-12-22(20)28-18-19-9-3-1-4-10-19/h1,3-6,9-12,21,25H,2,7-8,13-18,24H2/t21-/m0/s1