[2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[tert-butyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[benzyl(tert-butyl)amino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[tert-butyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(tert-butyl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[benzyl(tert-butyl)amino]-2-keto-ethyl] ester Formula: C18H21BrN2O3 MolecularWeight: 393.27494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CC(C)(C)N(CC1=CC=CC=C1)C(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C18H21BrN2O3/c1-18(2,3)21(11-13-7-5-4-6-8-13)16(22)12-24-17(23)15-9-14(19)10-20-15/h4-10,20H,11-12H2,1-3H3