[(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [(1R)-2-[benzyl(tert-butyl)amino]-1-methyl-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[benzyl(tert-butyl)amino]-1-oxopropan-2-yl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [(1R)-2-[benzyl(tert-butyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(CC1=CC=CC=C1)C(C)(C)C)OC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)OC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C21H26N2O4/c1-14(24)17-11-18(22-12-17)20(26)27-15(2)19(25)23(21(3,4)5)13-16-9-7-6-8-10-16/h6-12,15,22H,13H2,1-5H3/t15-/m1/s1