ethyl 4-[[1-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl-phenethyl-carbamoyl]amino]benzoate

Systemtic Name: ethyl 4-[[1-[3-(3,4-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl-phenethyl-carbamoyl]amino]benzoate Openeye Name: ethyl 4-[[1-[3-(3,4-dimethylphenyl)-4-oxo-quinazolin-2-yl]ethyl-phenethyl-carbamoyl]amino]benzoate CAS Name: 4-[[[1-[3-(3,4-dimethylphenyl)-4-oxo-2-quinazolinyl]ethyl-phenethylamino]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl-phenethylcarbamoyl]amino]benzoate Traditional Name: 4-[[1-[3-(3,4-dimethylphenyl)-4-keto-quinazolin-2-yl]ethyl-phenethyl-carbamoyl]amino]benzoic acid ethyl ester Formula: C36H36N4O4 MolecularWeight: 588.69544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCC2=CC=CC=C2)C(C)C3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)N(CCC2=CC=CC=C2)C(C)C3=NC4=CC=CC=C4C(=O)N3C5=CC(=C(C=C5)C)C

InChI

InChI=1S/C36H36N4O4/c1-5-44-35(42)28-16-18-29(19-17-28)37-36(43)39(22-21-27-11-7-6-8-12-27)26(4)33-38-32-14-10-9-13-31(32)34(41)40(33)30-20-15-24(2)25(3)23-30/h6-20,23,26H,5,21-22H2,1-4H3,(H,37,43)