[(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate

Systemtic Name: [(2R)-1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [(1R)-2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [(2R)-1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(azepan-1-yl)-1-oxopropan-2-yl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [(1R)-2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO5 MolecularWeight: 357.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

C[C@H](C(=O)N1CCCCCC1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C20H23NO5/c1-13(19(24)21-10-6-2-3-7-11-21)26-20(25)16-12-17(22)14-8-4-5-9-15(14)18(16)23/h4-5,8-9,12-13,22-23H,2-3,6-7,10-11H2,1H3/t13-/m1/s1