(4-chlorophenyl)methyl 1-[(4-cyanophenyl)methyl]-6,7-dimethoxy-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: (4-chlorophenyl)methyl 1-[(4-cyanophenyl)methyl]-6,7-dimethoxy-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: (4-chlorophenyl)methyl 1-[(4-cyanophenyl)methyl]-6,7-dimethoxy-4-oxo-quinoline-3-carboxylate CAS Name: 1-[(4-cyanophenyl)methyl]-6,7-dimethoxy-4-oxo-3-quinolinecarboxylic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 1-[(4-cyanophenyl)methyl]-6,7-dimethoxy-4-oxoquinoline-3-carboxylate Traditional Name: 1-(4-cyanobenzyl)-4-keto-6,7-dimethoxy-quinoline-3-carboxylic acid (4-chlorobenzyl) ester Formula: C27H21ClN2O5 MolecularWeight: 488.91904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)C(=CN2CC3=CC=C(C=C3)C#N)C(=O)OCC4=CC=C(C=C4)Cl)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)C(=CN2CC3=CC=C(C=C3)C#N)C(=O)OCC4=CC=C(C=C4)Cl)OC

InChI

InChI=1S/C27H21ClN2O5/c1-33-24-11-21-23(12-25(24)34-2)30(14-18-5-3-17(13-29)4-6-18)15-22(26(21)31)27(32)35-16-19-7-9-20(28)10-8-19/h3-12,15H,14,16H2,1-2H3