ethyl 4-(3-oxidanylprop-1-ynyl)-1-phenyl-isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-(3-oxidanylprop-1-ynyl)-1-phenyl-isoquinoline-3-carboxylate Openeye Name: ethyl 4-(3-hydroxyprop-1-ynyl)-1-phenyl-isoquinoline-3-carboxylate CAS Name: 4-(3-hydroxyprop-1-ynyl)-1-phenyl-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-hydroxyprop-1-ynyl)-1-phenylisoquinoline-3-carboxylate Traditional Name: 4-(3-hydroxyprop-1-ynyl)-1-phenyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H17NO3 MolecularWeight: 331.36458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C#CCO

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)C#CCO

InChI

InChI=1S/C21H17NO3/c1-2-25-21(24)20-18(13-8-14-23)16-11-6-7-12-17(16)19(22-20)15-9-4-3-5-10-15/h3-7,9-12,23H,2,14H2,1H3