ethyl 4-[[1-cyano-6-methoxy-2-(phenylcarbonyl)-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl]methyl]-5-ethenyl-pyridine-3-carboxylate

Systemtic Name: ethyl 4-[[1-cyano-6-methoxy-2-(phenylcarbonyl)-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl]methyl]-5-ethenyl-pyridine-3-carboxylate Openeye Name: ethyl 4-[(2-benzoyl-7-benzyloxy-1-cyano-6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-5-vinyl-pyridine-3-carboxylate CAS Name: 4-[(2-benzoyl-1-cyano-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-5-ethenyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzoyl-1-cyano-6-methoxy-7-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methyl]-5-ethenylpyridine-3-carboxylate Traditional Name: 4-[(7-benzoxy-2-benzoyl-1-cyano-6-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-5-vinyl-nicotinic acid ethyl ester Formula: C36H33N3O5 MolecularWeight: 587.66432

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN=C1)C=C)CC2(C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4)OC)OCC5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)C1=C(C(=CN=C1)C=C)CC2(C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4)OC)OCC5=CC=CC=C5)C#N

InChI

InChI=1S/C36H33N3O5/c1-4-26-21-38-22-30(35(41)43-5-2)29(26)20-36(24-37)31-19-33(44-23-25-12-8-6-9-13-25)32(42-3)18-28(31)16-17-39(36)34(40)27-14-10-7-11-15-27/h4,6-15,18-19,21-22H,1,5,16-17,20,23H2,2-3H3