[(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate

Systemtic Name: [(1R)-2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-oxidanylidene-3-propyl-phthalazine-1-carboxylate Openeye Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 4-oxo-3-propyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-propyl-1-phthalazinecarboxylic acid [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 4-oxo-3-propylphthalazine-1-carboxylate Traditional Name: 4-keto-3-propyl-phthalazine-1-carboxylic acid [(1R)-2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C28H27N3O4 MolecularWeight: 469.53168

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)O[C@H](C3=CC=CC=C3)C(=O)NC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C28H27N3O4/c1-4-16-31-27(33)22-13-9-8-12-21(22)24(30-31)28(34)35-25(20-10-6-5-7-11-20)26(32)29-23-17-18(2)14-15-19(23)3/h5-15,17,25H,4,16H2,1-3H3,(H,29,32)/t25-/m1/s1