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

Systemtic Name: methyl 5-[2-(azepan-1-yl)propylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Openeye Name: methyl 5-[2-(azepan-1-yl)propylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[2-(1-azepanyl)propylamino]-oxomethyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(azepan-1-yl)propylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(azepan-1-yl)propylcarbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylic acid methyl ester Formula: C19H31N3O3 MolecularWeight: 349.46774

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCC(C)N2CCCCCC2)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCC(C)N2CCCCCC2)C)C(=O)OC

InChI

InChI=1S/C19H31N3O3/c1-5-15-16(19(24)25-4)14(3)17(21-15)18(23)20-12-13(2)22-10-8-6-7-9-11-22/h13,21H,5-12H2,1-4H3,(H,20,23)