[2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate

Systemtic Name: [2-(azepan-1-yl)-2-oxidanylidene-ethyl] 1H-pyrrole-2-carboxylate Openeye Name: [2-(azepan-1-yl)-2-oxo-ethyl] 1H-pyrrole-2-carboxylate CAS Name: 1H-pyrrole-2-carboxylic acid [2-(1-azepanyl)-2-oxoethyl] ester IUPAC Name: [2-(azepan-1-yl)-2-oxoethyl] 1H-pyrrole-2-carboxylate Traditional Name: 1H-pyrrole-2-carboxylic acid [2-(azepan-1-yl)-2-keto-ethyl] ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CN2

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=CC=CN2

InChI

InChI=1S/C13H18N2O3/c16-12(15-8-3-1-2-4-9-15)10-18-13(17)11-6-5-7-14-11/h5-7,14H,1-4,8-10H2