[2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate

Systemtic Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [2-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic acid [2-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [2-[4-(1,3-benzoxazol-2-yl)piperidino]-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

Isomeric SMILES

CC(=O)C1=CN(C(=C1)C(=O)OCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3)C

InChI

InChI=1S/C22H23N3O5/c1-14(26)16-11-18(24(2)12-16)22(28)29-13-20(27)25-9-7-15(8-10-25)21-23-17-5-3-4-6-19(17)30-21/h3-6,11-12,15H,7-10,13H2,1-2H3