[(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate

Systemtic Name: [(2S)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate Openeye Name: [(1S)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1,2-dihydroacenaphthylene-5-carboxylate CAS Name: 1,2-dihydroacenaphthylene-5-carboxylic acid [(2S)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl] 1,2-dihydroacenaphthylene-5-carboxylate Traditional Name: acenaphthene-5-carboxylic acid [(1S)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO3 MolecularWeight: 351.4388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

Isomeric SMILES

C[C@@H](C(=O)N1CCCCCC1)OC(=O)C2=C3C=CC=C4C3=C(CC4)C=C2

InChI

InChI=1S/C22H25NO3/c1-15(21(24)23-13-4-2-3-5-14-23)26-22(25)19-12-11-17-10-9-16-7-6-8-18(19)20(16)17/h6-8,11-12,15H,2-5,9-10,13-14H2,1H3/t15-/m0/s1