methyl 6-chloranyl-1-oxidanylidene-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 6-chloranyl-1-oxidanylidene-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 6-chloro-1-oxo-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 6-chloro-1-oxo-2-phenyl-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-1-oxo-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 6-chloro-1-keto-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C26H22ClNO6 MolecularWeight: 479.90898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=C2C=C(C=C3)Cl)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H22ClNO6/c1-31-20-12-15(13-21(32-2)24(20)33-3)22-19-14-16(27)10-11-18(19)25(29)28(23(22)26(30)34-4)17-8-6-5-7-9-17/h5-14H,1-4H3