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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1,4-bis(oxidanyl)naphthalene-2-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 1,4-dihydroxynaphthalene-2-carboxylate CAS Name: 1,4-dihydroxy-2-naphthalenecarboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1,4-dihydroxynaphthalene-2-carboxylate Traditional Name: 1,4-dihydroxynaphthalene-2-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H19NO5 MolecularWeight: 365.37926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O

InChI

InChI=1S/C21H19NO5/c1-12-7-9-14(10-8-12)22-20(25)13(2)27-21(26)17-11-18(23)15-5-3-4-6-16(15)19(17)24/h3-11,13,23-24H,1-2H3,(H,22,25)/t13-/m0/s1