2-butyl-3-oxidanylidene-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-butyl-3-oxidanylidene-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid Openeye Name: 2-butyl-3-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid CAS Name: 2-butyl-3-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid IUPAC Name: 2-butyl-3-oxo-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid Traditional Name: 2-butyl-3-keto-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid Formula: C14H19NO3 MolecularWeight: 249.30556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=C2CCCCC2=C(C1=O)C(=O)O

Isomeric SMILES

CCCCN1C=C2CCCCC2=C(C1=O)C(=O)O

InChI

InChI=1S/C14H19NO3/c1-2-3-8-15-9-10-6-4-5-7-11(10)12(13(15)16)14(17)18/h9H,2-8H2,1H3,(H,17,18)