[2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-[4-[(1R)-1-acetamidoethyl]phenyl]-2-keto-ethyl] ester Formula: C17H18N2O4 MolecularWeight: 314.33582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CN2)NC(=O)C

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CN2)NC(=O)C

InChI

InChI=1S/C17H18N2O4/c1-11(19-12(2)20)13-5-7-14(8-6-13)16(21)10-23-17(22)15-4-3-9-18-15/h3-9,11,18H,10H2,1-2H3,(H,19,20)/t11-/m1/s1