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

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 2H-chromene-3-carboxylate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 2H-chromene-3-carboxylate CAS Name: 2H-1-benzopyran-3-carboxylic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 2H-chromene-3-carboxylate Traditional Name: 2H-chromene-3-carboxylic acid [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=CC3=CC=CC=C3OC2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=CC3=CC=CC=C3OC2

InChI

InChI=1S/C19H23NO4/c1-14(18(21)20-10-6-2-3-7-11-20)24-19(22)16-12-15-8-4-5-9-17(15)23-13-16/h4-5,8-9,12,14H,2-3,6-7,10-11,13H2,1H3/t14-/m0/s1