(phenylmethyl) 1-[2-(butanoylamino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (phenylmethyl) 1-[2-(butanoylamino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: benzyl 1-[2-(butanoylamino)ethyl]-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-[2-(1-oxobutylamino)ethyl]-3-pyrrolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-[2-(butanoylamino)ethyl]-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2-butyramidoethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid benzyl ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NCCN1C(=CC(=C1C)C(=O)OCC2=CC=CC=C2)C

Isomeric SMILES

CCCC(=O)NCCN1C(=CC(=C1C)C(=O)OCC2=CC=CC=C2)C

InChI

InChI=1S/C20H26N2O3/c1-4-8-19(23)21-11-12-22-15(2)13-18(16(22)3)20(24)25-14-17-9-6-5-7-10-17/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3,(H,21,23)