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

Systemtic Name: methyl 4-[4-[2-(4-chlorophenyl)-4-oxidanylidene-quinazolin-3-yl]butoxy]benzoate Openeye Name: methyl 4-[4-[2-(4-chlorophenyl)-4-oxo-quinazolin-3-yl]butoxy]benzoate CAS Name: 4-[4-[2-(4-chlorophenyl)-4-oxo-3-quinazolinyl]butoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[2-(4-chlorophenyl)-4-oxoquinazolin-3-yl]butoxy]benzoate Traditional Name: 4-[4-[2-(4-chlorophenyl)-4-keto-quinazolin-3-yl]butoxy]benzoic acid methyl ester Formula: C26H23ClN2O4 MolecularWeight: 462.92482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OCCCCN2C(=NC3=CC=CC=C3C2=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H23ClN2O4/c1-32-26(31)19-10-14-21(15-11-19)33-17-5-4-16-29-24(18-8-12-20(27)13-9-18)28-23-7-3-2-6-22(23)25(29)30/h2-3,6-15H,4-5,16-17H2,1H3