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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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