5-chloranyl-3,4-dihydro-2H-isoquinolin-1-one; 3-(2-chlorophenyl)propanoic acid

Systemtic Name: 5-chloranyl-3,4-dihydro-2H-isoquinolin-1-one; 3-(2-chlorophenyl)propanoic acid Openeye Name: 5-chloro-3,4-dihydro-2H-isoquinolin-1-one; 3-(2-chlorophenyl)propanoic acid CAS Name: 5-chloro-3,4-dihydro-2H-isoquinolin-1-one; 3-(2-chlorophenyl)propanoic acid IUPAC Name: 5-chloro-3,4-dihydro-2H-isoquinolin-1-one; 3-(2-chlorophenyl)propanoic acid Traditional Name: 5-chloro-3,4-dihydroisocarbostyril; 3-(2-chlorophenyl)propionic acid Formula: C18H17Cl2NO3 MolecularWeight: 366.23848

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C2=C1C(=CC=C2)Cl.C1=CC=C(C(=C1)CCC(=O)O)Cl

Isomeric SMILES

C1CNC(=O)C2=C1C(=CC=C2)Cl.C1=CC=C(C(=C1)CCC(=O)O)Cl

InChI

InChI=1S/C9H8ClNO.C9H9ClO2/c10-8-3-1-2-7-6(8)4-5-11-9(7)12;10-8-4-2-1-3-7(8)5-6-9(11)12/h1-3H,4-5H2,(H,11,12);1-4H,5-6H2,(H,11,12)