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

Systemtic Name: ethyl 5-[2-(azepan-1-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(azepan-1-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-(1-azepanyl)ethylamino]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(azepan-1-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(azepan-1-yl)ethylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C18H29N3O3 MolecularWeight: 335.44116

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCN2CCCCCC2)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NCCN2CCCCCC2)C

InChI

InChI=1S/C18H29N3O3/c1-4-24-18(23)15-13(2)16(20-14(15)3)17(22)19-9-12-21-10-7-5-6-8-11-21/h20H,4-12H2,1-3H3,(H,19,22)