methyl (2E)-3-oxidanylidene-2-[1-(phenylmethyl)quinolin-2-ylidene]butanoate

Systemtic Name: methyl (2E)-3-oxidanylidene-2-[1-(phenylmethyl)quinolin-2-ylidene]butanoate Openeye Name: methyl (2E)-2-(1-benzyl-2-quinolylidene)-3-oxo-butanoate CAS Name: (2E)-3-oxo-2-[1-(phenylmethyl)-2-quinolinylidene]butanoic acid methyl ester IUPAC Name: methyl (2E)-2-(1-benzylquinolin-2-ylidene)-3-oxobutanoate Traditional Name: (2E)-2-(1-benzyl-2-quinolylidene)-3-keto-butyric acid methyl ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C1C=CC2=CC=CC=C2N1CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)/C(=C\1/C=CC2=CC=CC=C2N1CC3=CC=CC=C3)/C(=O)OC

InChI

InChI=1S/C21H19NO3/c1-15(23)20(21(24)25-2)19-13-12-17-10-6-7-11-18(17)22(19)14-16-8-4-3-5-9-16/h3-13H,14H2,1-2H3/b20-19+