[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(2-hydroxyethyl)-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-(2-hydroxyethyl)-4-oxo-phthalazine-1-carboxylate CAS Name: 3-(2-hydroxyethyl)-4-oxo-1-phthalazinecarboxylic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 3-(2-hydroxyethyl)-4-oxophthalazine-1-carboxylate Traditional Name: 3-(2-hydroxyethyl)-4-keto-phthalazine-1-carboxylic acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)C2=NN(C(=O)C3=CC=CC=C32)CCO

InChI

InChI=1S/C21H21N3O5/c1-13-7-9-15(10-8-13)22-19(26)14(2)29-21(28)18-16-5-3-4-6-17(16)20(27)24(23-18)11-12-25/h3-10,14,25H,11-12H2,1-2H3,(H,22,26)/t14-/m0/s1