2-(4-ethoxy-4-oxidanylidene-butyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid

Systemtic Name: 2-(4-ethoxy-4-oxidanylidene-butyl)-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-ethoxy-4-oxo-butyl)-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(4-ethoxy-4-oxobutyl)-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(4-ethoxy-4-oxobutyl)-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(4-ethoxy-4-keto-butyl)-1-keto-4-phenyl-isoquinoline-3-carboxylic acid Formula: C22H21NO5 MolecularWeight: 379.40584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CCOC(=O)CCCN1C(=C(C2=CC=CC=C2C1=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C22H21NO5/c1-2-28-18(24)13-8-14-23-20(22(26)27)19(15-9-4-3-5-10-15)16-11-6-7-12-17(16)21(23)25/h3-7,9-12H,2,8,13-14H2,1H3,(H,26,27)