[2-(tert-butylamino)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OCC(=O)NC(C)(C)C

InChI

InChI=1S/C20H26N2O3/c1-14-11-17(19(24)25-13-18(23)21-20(3,4)5)15(2)22(14)12-16-9-7-6-8-10-16/h6-11H,12-13H2,1-5H3,(H,21,23)