2-[(3,5-dimethoxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methyl]-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-[(3,5-dimethoxyphenyl)methyl]-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-[(3,5-dimethoxyphenyl)methyl]-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-[(3,5-dimethoxyphenyl)methyl]-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(3,5-dimethoxybenzyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C25H21NO5 MolecularWeight: 415.43794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2C(=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)O)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2C(=C(C3=CC=CC=C3C2=O)C4=CC=CC=C4)C(=O)O)OC

InChI

InChI=1S/C25H21NO5/c1-30-18-12-16(13-19(14-18)31-2)15-26-23(25(28)29)22(17-8-4-3-5-9-17)20-10-6-7-11-21(20)24(26)27/h3-14H,15H2,1-2H3,(H,28,29)