[(2S)-1-[tert-butyl-(phenylmethyl)amino]-3-(3-methyl-4-nitro-phenoxy)propan-2-yl] furan-2-carboxylate

Systemtic Name: [(2S)-1-[tert-butyl-(phenylmethyl)amino]-3-(3-methyl-4-nitro-phenoxy)propan-2-yl] furan-2-carboxylate Openeye Name: [(1S)-1-[[benzyl(tert-butyl)amino]methyl]-2-(3-methyl-4-nitro-phenoxy)ethyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [(2S)-1-[tert-butyl-(phenylmethyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-yl] ester IUPAC Name: [(2S)-1-[benzyl(tert-butyl)amino]-3-(3-methyl-4-nitrophenoxy)propan-2-yl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [(1S)-1-[[benzyl(tert-butyl)amino]methyl]-2-(3-methyl-4-nitro-phenoxy)ethyl] ester Formula: C26H30N2O6 MolecularWeight: 466.5262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(CN(CC2=CC=CC=C2)C(C)(C)C)OC(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OC[C@H](CN(CC2=CC=CC=C2)C(C)(C)C)OC(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C26H30N2O6/c1-19-15-21(12-13-23(19)28(30)31)33-18-22(34-25(29)24-11-8-14-32-24)17-27(26(2,3)4)16-20-9-6-5-7-10-20/h5-15,22H,16-18H2,1-4H3/t22-/m0/s1