ethyl 4-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[[3-(1H-benzimidazol-2-yl)propylamino]-oxomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCCC2=NC3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)NCCCC2=NC3=CC=CC=C3N2)C

InChI

InChI=1S/C20H24N4O3/c1-4-27-20(26)18-12(2)17(13(3)22-18)19(25)21-11-7-10-16-23-14-8-5-6-9-15(14)24-16/h5-6,8-9,22H,4,7,10-11H2,1-3H3,(H,21,25)(H,23,24)