[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate

Systemtic Name: [2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(4-oxidanylidenequinazolin-3-yl)propanoate Openeye Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-(4-oxoquinazolin-3-yl)propanoate CAS Name: 3-(4-oxo-3-quinazolinyl)propanoic acid [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(4-oxoquinazolin-3-yl)propanoate Traditional Name: 3-(4-ketoquinazolin-3-yl)propionic acid [2-(2,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)CCN3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)C(C2=CC=CC=C2)OC(=O)CCN3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C27H25N3O4/c1-18-12-13-19(2)23(16-18)29-26(32)25(20-8-4-3-5-9-20)34-24(31)14-15-30-17-28-22-11-7-6-10-21(22)27(30)33/h3-13,16-17,25H,14-15H2,1-2H3,(H,29,32)