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

Systemtic Name: [(2R)-1-[tert-butyl-(phenylmethyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethanoyl-1-methyl-pyrrole-2-carboxylate Openeye Name: [(1R)-2-[benzyl(tert-butyl)amino]-1-methyl-2-oxo-ethyl] 4-acetyl-1-methyl-pyrrole-2-carboxylate CAS Name: 4-acetyl-1-methyl-2-pyrrolecarboxylic 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-1-methylpyrrole-2-carboxylate Traditional Name: 4-acetyl-1-methyl-pyrrole-2-carboxylic acid [(1R)-2-[benzyl(tert-butyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C22H28N2O4 MolecularWeight: 384.46872

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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(=CN2C)C(=O)C

Isomeric SMILES

C[C@H](C(=O)N(CC1=CC=CC=C1)C(C)(C)C)OC(=O)C2=CC(=CN2C)C(=O)C

InChI

InChI=1S/C22H28N2O4/c1-15(25)18-12-19(23(6)14-18)21(27)28-16(2)20(26)24(22(3,4)5)13-17-10-8-7-9-11-17/h7-12,14,16H,13H2,1-6H3/t16-/m1/s1