2-[4-(4-chlorophenyl)phenyl]carbonyl-5-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclopentane-1-carboxylic acid

Systemtic Name: 2-[4-(4-chlorophenyl)phenyl]carbonyl-5-[(4-oxidanylidenequinazolin-3-yl)methyl]cyclopentane-1-carboxylic acid Openeye Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(4-oxoquinazolin-3-yl)methyl]cyclopentanecarboxylic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-5-[(4-oxo-3-quinazolinyl)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(4-oxoquinazolin-3-yl)methyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(4-ketoquinazolin-3-yl)methyl]cyclopentanecarboxylic acid Formula: C28H23ClN2O4 MolecularWeight: 486.94622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2C=NC3=CC=CC=C3C2=O)C(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(C(C1CN2C=NC3=CC=CC=C3C2=O)C(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C28H23ClN2O4/c29-21-12-9-18(10-13-21)17-5-7-19(8-6-17)26(32)23-14-11-20(25(23)28(34)35)15-31-16-30-24-4-2-1-3-22(24)27(31)33/h1-10,12-13,16,20,23,25H,11,14-15H2,(H,34,35)