propan-2-yl 5-(azepan-1-ylcarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 5-(azepan-1-ylcarbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-(azepane-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[1-azepanyl(oxo)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-(azepane-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-(azepane-1-carbonyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C17H26N2O3 MolecularWeight: 306.39994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCCCCC2

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)N2CCCCCC2

InChI

InChI=1S/C17H26N2O3/c1-11(2)22-17(21)14-12(3)15(18-13(14)4)16(20)19-9-7-5-6-8-10-19/h11,18H,5-10H2,1-4H3