5-chloranyl-2-(4-oxidanylidenepentyl)-3-phenyl-isoindole-1-carboxylic acid

Systemtic Name: 5-chloranyl-2-(4-oxidanylidenepentyl)-3-phenyl-isoindole-1-carboxylic acid Openeye Name: 5-chloro-2-(4-oxopentyl)-3-phenyl-isoindole-1-carboxylic acid CAS Name: 5-chloro-2-(4-oxopentyl)-3-phenyl-1-isoindolecarboxylic acid IUPAC Name: 5-chloro-2-(4-oxopentyl)-3-phenylisoindole-1-carboxylic acid Traditional Name: 5-chloro-2-(4-ketopentyl)-3-phenyl-isoindole-1-carboxylic acid Formula: C20H18ClNO3 MolecularWeight: 355.81482

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CCCN1C(=C2C=C(C=CC2=C1C(=O)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H18ClNO3/c1-13(23)6-5-11-22-18(14-7-3-2-4-8-14)17-12-15(21)9-10-16(17)19(22)20(24)25/h2-4,7-10,12H,5-6,11H2,1H3,(H,24,25)