[2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)-propan-2-yl-amino]ethyl] 4-chloranyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[benzyl(isopropyl)amino]-2-oxo-ethyl] 4-chloro-1H-pyrrole-2-carboxylate CAS Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-oxo-2-[(phenylmethyl)-propan-2-ylamino]ethyl] ester IUPAC Name: [2-[benzyl(propan-2-yl)amino]-2-oxoethyl] 4-chloro-1H-pyrrole-2-carboxylate Traditional Name: 4-chloro-1H-pyrrole-2-carboxylic acid [2-[benzyl(isopropyl)amino]-2-keto-ethyl] ester Formula: C17H19ClN2O3 MolecularWeight: 334.79736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CN2)Cl

Isomeric SMILES

CC(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CN2)Cl

InChI

InChI=1S/C17H19ClN2O3/c1-12(2)20(10-13-6-4-3-5-7-13)16(21)11-23-17(22)15-8-14(18)9-19-15/h3-9,12,19H,10-11H2,1-2H3