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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=C(N(C(=C1)C)CC2=CC=CC=C2)C

InChI

InChI=1S/C21H28N2O3/c1-6-21(4,5)22-19(24)14-26-20(25)18-12-15(2)23(16(18)3)13-17-10-8-7-9-11-17/h7-12H,6,13-14H2,1-5H3,(H,22,24)