ethyl 4-[(Z)-3-chloranylprop-1-enyl]-1-phenyl-isoquinoline-3-carboxylate

Systemtic Name: ethyl 4-[(Z)-3-chloranylprop-1-enyl]-1-phenyl-isoquinoline-3-carboxylate Openeye Name: ethyl 4-[(Z)-3-chloroprop-1-enyl]-1-phenyl-isoquinoline-3-carboxylate CAS Name: 4-[(Z)-3-chloroprop-1-enyl]-1-phenyl-3-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(Z)-3-chloroprop-1-enyl]-1-phenylisoquinoline-3-carboxylate Traditional Name: 4-[(Z)-3-chloroprop-1-enyl]-1-phenyl-isoquinoline-3-carboxylic acid ethyl ester Formula: C21H18ClNO2 MolecularWeight: 351.82612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2C(=N1)C3=CC=CC=C3)/C=C\CCl

InChI

InChI=1S/C21H18ClNO2/c1-2-25-21(24)20-18(13-8-14-22)16-11-6-7-12-17(16)19(23-20)15-9-4-3-5-10-15/h3-13H,2,14H2,1H3/b13-8-