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

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

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=O)OCC

Isomeric SMILES

CCC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2C(C)N(CCC4=CC=CC=C4)C(=O)NC5=CC=C(C=C5)C(=O)OCC

InChI

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