2-(2-ethoxy-2-oxidanylidene-ethyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(2-ethoxy-2-oxidanylidene-ethyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-ethoxy-2-oxo-ethyl)-6,7-dimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(2-ethoxy-2-oxoethyl)-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(2-ethoxy-2-oxoethyl)-6,7-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(2-ethoxy-2-keto-ethyl)-1-keto-6,7-dimethyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)CN1C(=C(C2=CC(=C(C=C2C1=O)C)C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO5/c1-4-28-18(24)12-23-20(22(26)27)19(15-8-6-5-7-9-15)16-10-13(2)14(3)11-17(16)21(23)25/h5-11H,4,12H2,1-3H3,(H,26,27)