(phenylmethyl) 1-(2-acetamidoethyl)-2,4-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-acetamidoethyl)-2,4-dimethyl-pyrrole-3-carboxylate Openeye Name: benzyl 1-(2-acetamidoethyl)-2,4-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(2-acetamidoethyl)-2,4-dimethyl-3-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-acetamidoethyl)-2,4-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2-acetamidoethyl)-2,4-dimethyl-pyrrole-3-carboxylic acid benzyl ester Formula: C18H22N2O3 MolecularWeight: 314.37888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=C1C(=O)OCC2=CC=CC=C2)C)CCNC(=O)C

Isomeric SMILES

CC1=CN(C(=C1C(=O)OCC2=CC=CC=C2)C)CCNC(=O)C

InChI

InChI=1S/C18H22N2O3/c1-13-11-20(10-9-19-15(3)21)14(2)17(13)18(22)23-12-16-7-5-4-6-8-16/h4-8,11H,9-10,12H2,1-3H3,(H,19,21)