methyl 3-[3-[2-(7-chloranylquinolin-2-yl)ethyl]phenyl]-3-oxidanylidene-propanoate

Systemtic Name: methyl 3-[3-[2-(7-chloranylquinolin-2-yl)ethyl]phenyl]-3-oxidanylidene-propanoate Openeye Name: methyl 3-[3-[2-(7-chloro-2-quinolyl)ethyl]phenyl]-3-oxo-propanoate CAS Name: 3-[3-[2-(7-chloro-2-quinolinyl)ethyl]phenyl]-3-oxopropanoic acid methyl ester IUPAC Name: methyl 3-[3-[2-(7-chloroquinolin-2-yl)ethyl]phenyl]-3-oxopropanoate Traditional Name: 3-[3-[2-(7-chloro-2-quinolyl)ethyl]phenyl]-3-keto-propionic acid methyl ester Formula: C21H18ClNO3 MolecularWeight: 367.82552

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(=O)C1=CC(=CC=C1)CCC2=NC3=C(C=CC(=C3)Cl)C=C2

Isomeric SMILES

COC(=O)CC(=O)C1=CC(=CC=C1)CCC2=NC3=C(C=CC(=C3)Cl)C=C2

InChI

InChI=1S/C21H18ClNO3/c1-26-21(25)13-20(24)16-4-2-3-14(11-16)5-9-18-10-7-15-6-8-17(22)12-19(15)23-18/h2-4,6-8,10-12H,5,9,13H2,1H3