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

Systemtic Name: ethyl 2,4-dimethyl-5-[3-(2-oxidanylideneazepan-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,4-dimethyl-5-[3-(2-oxoazepan-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[3-(2-oxo-1-azepanyl)propylamino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,4-dimethyl-5-[3-(2-oxoazepan-1-yl)propylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-(2-ketoazepan-1-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C19H29N3O4 MolecularWeight: 363.45126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCCN2CCCCCC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCCN2CCCCCC2=O)C

InChI

InChI=1S/C19H29N3O4/c1-4-26-19(25)16-13(2)17(21-14(16)3)18(24)20-10-8-12-22-11-7-5-6-9-15(22)23/h21H,4-12H2,1-3H3,(H,20,24)