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

Systemtic Name: [2-[4-(butanoylamino)phenyl]-2-oxidanylidene-ethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Openeye Name: [2-[4-(butanoylamino)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-oxo-2-[4-(1-oxobutylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(butanoylamino)phenyl]-2-oxoethyl] 1-(1,3-benzoxazol-2-yl)piperidine-4-carboxylate Traditional Name: 1-(1,3-benzoxazol-2-yl)isonipecotic acid [2-(4-butyramidophenyl)-2-keto-ethyl] ester Formula: C25H27N3O5 MolecularWeight: 449.49898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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