ethyl 7-ethynyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 7-ethynyl-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-7-ethynyl-4-oxo-quinoline-3-carboxylate CAS Name: 7-ethynyl-4-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-7-ethynyl-4-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-7-ethynyl-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C#C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2)C#C)CC3=CC=CC=C3

InChI

InChI=1S/C21H17NO3/c1-3-15-10-11-17-19(12-15)22(13-16-8-6-5-7-9-16)14-18(20(17)23)21(24)25-4-2/h1,5-12,14H,4,13H2,2H3