[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate CAS Name: 1-(1,3-benzoxazol-2-yl)-4-piperidinecarboxylic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2CCN(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H27N3O5/c1-16(2)23(30)26-19-9-7-17(8-10-19)21(29)15-32-24(31)18-11-13-28(14-12-18)25-27-20-5-3-4-6-22(20)33-25/h3-10,16,18H,11-15H2,1-2H3,(H,26,30)