[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate

Systemtic Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2,4,6-trimethylbenzoate Openeye Name: [(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 2,4,6-trimethylbenzoate CAS Name: 2,4,6-trimethylbenzoic acid [(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,4,6-trimethylbenzoate Traditional Name: 2,4,6-trimethylbenzoic acid [(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)OC(C)C(=O)NCC2=CC=CO2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)O[C@@H](C)C(=O)NCC2=CC=CO2)C

InChI

InChI=1S/C18H21NO4/c1-11-8-12(2)16(13(3)9-11)18(21)23-14(4)17(20)19-10-15-6-5-7-22-15/h5-9,14H,10H2,1-4H3,(H,19,20)/t14-/m0/s1