methyl 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-ethanoyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-acetyl-2-[2-(azepan-1-yl)-2-oxo-ethyl]-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-acetyl-2-[2-(1-azepanyl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[2-(azepan-1-yl)-2-oxoethyl]-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-acetyl-2-[2-(azepan-1-yl)-2-keto-ethyl]-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4/c1-11-15(17(22)23-3)13(18-16(11)12(2)20)10-14(21)19-8-6-4-5-7-9-19/h18H,4-10H2,1-3H3