[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-phenylfuran-2-carboxylate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3-phenylfuran-2-carboxylate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3-phenylfuran-2-carboxylate CAS Name: 3-phenyl-2-furancarboxylic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 3-phenylfuran-2-carboxylate Traditional Name: 3-phenylfuran-2-carboxylic acid [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO4 MolecularWeight: 341.40092

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C=CO2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=C(C=CO2)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO4/c1-15(19(22)21-12-7-2-3-8-13-21)25-20(23)18-17(11-14-24-18)16-9-5-4-6-10-16/h4-6,9-11,14-15H,2-3,7-8,12-13H2,1H3/t15-/m0/s1