O2-ethyl O4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-ethyl O4-[3-(2-oxo-3H-benzimidazol-1-yl)propyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[3-(2-oxo-3H-benzimidazol-1-yl)propyl] ester IUPAC Name: 2-O-ethyl 4-O-[3-(2-oxo-3H-benzimidazol-1-yl)propyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[3-(2-keto-3H-benzimidazol-1-yl)propyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCCCN2C3=CC=CC=C3NC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCCCN2C3=CC=CC=C3NC2=O)C

InChI

InChI=1S/C20H23N3O5/c1-4-27-19(25)17-12(2)16(13(3)21-17)18(24)28-11-7-10-23-15-9-6-5-8-14(15)22-20(23)26/h5-6,8-9,21H,4,7,10-11H2,1-3H3,(H,22,26)