ethyl 7-methyl-4-oxidanyl-8-(phenylmethyl)-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate

Systemtic Name: ethyl 7-methyl-4-oxidanyl-8-(phenylmethyl)-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate Openeye Name: ethyl 8-benzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate CAS Name: 4-hydroxy-7-methyl-8-(phenylmethyl)-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-benzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylate Traditional Name: 8-benzyl-4-hydroxy-7-methyl-3H-pyrrolo[2,3-e]benzimidazole-6-carboxylic acid ethyl ester Formula: C20H19N3O3 MolecularWeight: 349.38316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)NC=N3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C3C(=C(C=C12)O)NC=N3)CC4=CC=CC=C4)C

InChI

InChI=1S/C20H19N3O3/c1-3-26-20(25)16-12(2)23(10-13-7-5-4-6-8-13)19-14(16)9-15(24)17-18(19)22-11-21-17/h4-9,11,24H,3,10H2,1-2H3,(H,21,22)