(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCC1C(=O)OC(C2=CC=CC=C2)C(=O)N)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O4/c22-19(25)18(14-6-2-1-3-7-14)28-20(26)15-10-12-24(13-11-15)21-23-16-8-4-5-9-17(16)27-21/h1-9,15,18H,10-13H2,(H2,22,25)