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

Systemtic Name: 2-[4-(4-chlorophenyl)phenyl]carbonyl-5-[(1-oxidanylidenephthalazin-2-yl)methyl]cyclopentane-1-carboxylic acid Openeye Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(1-oxophthalazin-2-yl)methyl]cyclopentanecarboxylic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-5-[(1-oxo-2-phthalazinyl)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(1-oxophthalazin-2-yl)methyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(1-ketophthalazin-2-yl)methyl]cyclopentanecarboxylic acid Formula: C28H23ClN2O4 MolecularWeight: 486.94622

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2C(=O)C3=CC=CC=C3C=N2)C(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1CC(C(C1CN2C(=O)C3=CC=CC=C3C=N2)C(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl

InChI

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