(phenylmethyl) (2R)-2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) (2R)-2-cyano-2-[3-[4-(phenylmethyl)piperidin-1-yl]quinoxalin-2-yl]ethanoate Openeye Name: benzyl (2R)-2-[3-(4-benzyl-1-piperidyl)quinoxalin-2-yl]-2-cyano-acetate CAS Name: (2R)-2-cyano-2-[3-[4-(phenylmethyl)-1-piperidinyl]-2-quinoxalinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl (2R)-2-[3-(4-benzylpiperidin-1-yl)quinoxalin-2-yl]-2-cyanoacetate Traditional Name: (2R)-2-[3-(4-benzylpiperidino)quinoxalin-2-yl]-2-cyano-acetic acid benzyl ester Formula: C30H28N4O2 MolecularWeight: 476.56892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3[C@H](C#N)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C30H28N4O2/c31-20-25(30(35)36-21-24-11-5-2-6-12-24)28-29(33-27-14-8-7-13-26(27)32-28)34-17-15-23(16-18-34)19-22-9-3-1-4-10-22/h1-14,23,25H,15-19,21H2/t25-/m0/s1