(3,4-dichlorophenyl) 5-oxidanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentanoate

Systemtic Name: (3,4-dichlorophenyl) 5-oxidanylidene-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentanoate Openeye Name: (3,4-dichlorophenyl) 5-oxo-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentanoate CAS Name: 5-oxo-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentanoic acid (3,4-dichlorophenyl) ester IUPAC Name: (3,4-dichlorophenyl) 5-oxo-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)pentanoate Traditional Name: 5-keto-5-(1,2,3,4-tetrahydroisoquinolin-1-yl)valeric acid (3,4-dichlorophenyl) ester Formula: C20H19Cl2NO3 MolecularWeight: 392.27576

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(C2=CC=CC=C21)C(=O)CCCC(=O)OC3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CNC(C2=CC=CC=C21)C(=O)CCCC(=O)OC3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H19Cl2NO3/c21-16-9-8-14(12-17(16)22)26-19(25)7-3-6-18(24)20-15-5-2-1-4-13(15)10-11-23-20/h1-2,4-5,8-9,12,20,23H,3,6-7,10-11H2