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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=C(C2=CC=CC=C2C(=C1)O)O

InChI

InChI=1S/C18H21NO5/c1-10(2)9-19-17(22)11(3)24-18(23)14-8-15(20)12-6-4-5-7-13(12)16(14)21/h4-8,10-11,20-21H,9H2,1-3H3,(H,19,22)/t11-/m0/s1