ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[3-(2-oxidanylideneazepan-1-yl)propylamino]ethyl]pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-1-[2-oxidanylidene-2-[3-(2-oxidanylideneazepan-1-yl)propylamino]ethyl]pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-oxo-2-[3-(2-oxo-1-azepanyl)propylamino]ethyl]-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-1-[2-oxo-2-[3-(2-oxoazepan-1-yl)propylamino]ethyl]pyrrole-3-carboxylate Traditional Name: 1-[2-keto-2-[3-(2-ketoazepan-1-yl)propylamino]ethyl]-2,5-dimethyl-pyrrole-3-carboxylic acid ethyl ester Formula: C20H31N3O4 MolecularWeight: 377.47784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCCN2CCCCCC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1)C)CC(=O)NCCCN2CCCCCC2=O)C

InChI

InChI=1S/C20H31N3O4/c1-4-27-20(26)17-13-15(2)23(16(17)3)14-18(24)21-10-8-12-22-11-7-5-6-9-19(22)25/h13H,4-12,14H2,1-3H3,(H,21,24)