methyl 4-[3-[2-(4-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl]propoxy]benzoate

Systemtic Name: methyl 4-[3-[2-(4-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl]propoxy]benzoate Openeye Name: methyl 4-[3-[2-(4-chlorophenyl)-4-oxo-quinazolin-3-yl]propoxy]benzoate CAS Name: 4-[3-[2-(4-chlorophenyl)-4-oxo-3-quinazolinyl]propoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[3-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]propoxy]benzoate Traditional Name: 4-[3-[2-(4-chlorophenyl)-4-keto-quinazolin-3-yl]propoxy]benzoic acid methyl ester Formula: C25H21ClN2O4 MolecularWeight: 448.89824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C25H21ClN2O4/c1-31-25(30)18-9-13-20(14-10-18)32-16-4-15-28-23(17-7-11-19(26)12-8-17)27-22-6-3-2-5-21(22)24(28)29/h2-3,5-14H,4,15-16H2,1H3