[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)CCNC(=O)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)CCNC(=O)C)C

InChI

InChI=1S/C21H26N2O4/c1-5-23-14(2)12-19(15(23)3)21(26)27-13-20(25)18-8-6-17(7-9-18)10-11-22-16(4)24/h6-9,12H,5,10-11,13H2,1-4H3,(H,22,24)