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

Systemtic Name: 2-(4-ethoxy-4-oxidanylidene-butyl)-6,7-dimethyl-1-oxidanylidene-4-phenyl-isoquinoline-3-carboxylic acid Openeye Name: 2-(4-ethoxy-4-oxo-butyl)-6,7-dimethyl-1-oxo-4-phenyl-isoquinoline-3-carboxylic acid CAS Name: 2-(4-ethoxy-4-oxobutyl)-6,7-dimethyl-1-oxo-4-phenyl-3-isoquinolinecarboxylic acid IUPAC Name: 2-(4-ethoxy-4-oxobutyl)-6,7-dimethyl-1-oxo-4-phenylisoquinoline-3-carboxylic acid Traditional Name: 2-(4-ethoxy-4-keto-butyl)-1-keto-6,7-dimethyl-4-phenyl-isoquinoline-3-carboxylic acid Formula: C24H25NO5 MolecularWeight: 407.459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25NO5/c1-4-30-20(26)11-8-12-25-22(24(28)29)21(17-9-6-5-7-10-17)18-13-15(2)16(3)14-19(18)23(25)27/h5-7,9-10,13-14H,4,8,11-12H2,1-3H3,(H,28,29)