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

Systemtic Name: propan-2-yl 5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[3-(1H-benzimidazol-2-yl)propylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-(1H-benzimidazol-2-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCCC2=NC3=CC=CC=C3N2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCCC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C21H26N4O3/c1-12(2)28-21(27)18-13(3)19(23-14(18)4)20(26)22-11-7-10-17-24-15-8-5-6-9-16(15)25-17/h5-6,8-9,12,23H,7,10-11H2,1-4H3,(H,22,26)(H,24,25)