(phenylmethyl) N-[(3R,4S)-4-cyano-1-phenyl-6-pyrrolidin-1-yl-hexan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3R,4S)-4-cyano-1-phenyl-6-pyrrolidin-1-yl-hexan-3-yl]carbamate Openeye Name: benzyl N-[(1R,2S)-2-cyano-1-phenethyl-4-pyrrolidin-1-yl-butyl]carbamate CAS Name: N-[(3R,4S)-4-cyano-1-phenyl-6-(1-pyrrolidinyl)hexan-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3R,4S)-4-cyano-1-phenyl-6-pyrrolidin-1-ylhexan-3-yl]carbamate Traditional Name: N-[(1R,2S)-2-cyano-1-phenethyl-4-pyrrolidino-butyl]carbamic acid benzyl ester Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCC(C#N)C(CCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)CC[C@H](C#N)[C@@H](CCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2/c26-19-23(15-18-28-16-7-8-17-28)24(14-13-21-9-3-1-4-10-21)27-25(29)30-20-22-11-5-2-6-12-22/h1-6,9-12,23-24H,7-8,13-18,20H2,(H,27,29)/t23-,24-/m1/s1