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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H19NO5 MolecularWeight: 317.33646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO5/c1-3-8-18-16(21)10(2)23-17(22)13-9-14(19)11-6-4-5-7-12(11)15(13)20/h4-7,9-10,19-20H,3,8H2,1-2H3,(H,18,21)/t10-/m0/s1