[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate

Systemtic Name: [(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2,5-dimethyl-1-(phenylmethyl)pyrrole-3-carboxylate Openeye Name: [(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-1-(phenylmethyl)-3-pyrrolecarboxylic acid [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 1-benzyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-benzyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)OC(C)C(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)O[C@H](C)C(=O)NCC(C)C

InChI

InChI=1S/C21H28N2O3/c1-14(2)12-22-20(24)17(5)26-21(25)19-11-15(3)23(16(19)4)13-18-9-7-6-8-10-18/h6-11,14,17H,12-13H2,1-5H3,(H,22,24)/t17-/m1/s1