methyl 4-oxidanylidene-4-[3-(quinolin-2-ylmethoxy)phenyl]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[3-(quinolin-2-ylmethoxy)phenyl]butanoate Openeye Name: methyl 4-oxo-4-[3-(2-quinolylmethoxy)phenyl]butanoate CAS Name: 4-oxo-4-[3-(2-quinolinylmethoxy)phenyl]butanoic acid methyl ester IUPAC Name: methyl 4-oxo-4-[3-(quinolin-2-ylmethoxy)phenyl]butanoate Traditional Name: 4-keto-4-[3-(2-quinolylmethoxy)phenyl]butyric acid methyl ester Formula: C21H19NO4 MolecularWeight: 349.37986

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

COC(=O)CCC(=O)C1=CC(=CC=C1)OCC2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H19NO4/c1-25-21(24)12-11-20(23)16-6-4-7-18(13-16)26-14-17-10-9-15-5-2-3-8-19(15)22-17/h2-10,13H,11-12,14H2,1H3