6,7-diethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxylic acid

Systemtic Name: 6,7-diethoxy-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carboxylic acid Openeye Name: 6,7-diethoxy-2-isobutyl-1-oxo-isoquinoline-4-carboxylic acid CAS Name: 6,7-diethoxy-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxylic acid IUPAC Name: 6,7-diethoxy-2-(2-methylpropyl)-1-oxoisoquinoline-4-carboxylic acid Traditional Name: 6,7-diethoxy-2-isobutyl-1-keto-isoquinoline-4-carboxylic acid Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=CN(C2=O)CC(C)C)C(=O)O)OCC

InChI

InChI=1S/C18H23NO5/c1-5-23-15-7-12-13(8-16(15)24-6-2)17(20)19(9-11(3)4)10-14(12)18(21)22/h7-8,10-11H,5-6,9H2,1-4H3,(H,21,22)