2-[[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]methyl]-5-[4-(4-chlorophenyl)phenyl]carbonyl-cyclopentane-1-carboxylic acid

Systemtic Name: 2-[[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]methyl]-5-[4-(4-chlorophenyl)phenyl]carbonyl-cyclopentane-1-carboxylic acid Openeye Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(1,3-dioxo-4H-isoquinolin-2-yl)methyl]cyclopentanecarboxylic acid CAS Name: 2-[[4-(4-chlorophenyl)phenyl]-oxomethyl]-5-[(1,3-dioxo-4H-isoquinolin-2-yl)methyl]-1-cyclopentanecarboxylic acid IUPAC Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(1,3-dioxo-4H-isoquinolin-2-yl)methyl]cyclopentane-1-carboxylic acid Traditional Name: 2-[4-(4-chlorophenyl)benzoyl]-5-[(1,3-diketo-4H-isoquinolin-2-yl)methyl]cyclopentanecarboxylic acid Formula: C29H24ClNO5 MolecularWeight: 501.95756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C1CN2C(=O)CC3=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(=O)CC3=CC=CC=C3C2=O)C(=O)O)C(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C29H24ClNO5/c30-22-12-9-18(10-13-22)17-5-7-19(8-6-17)27(33)24-14-11-21(26(24)29(35)36)16-31-25(32)15-20-3-1-2-4-23(20)28(31)34/h1-10,12-13,21,24,26H,11,14-16H2,(H,35,36)