3-(furan-2-yl)-2-(2-methylpropyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 3-(furan-2-yl)-2-(2-methylpropyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 3-(2-furyl)-2-isobutyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 3-(2-furanyl)-2-(2-methylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 3-(furan-2-yl)-2-(2-methylpropyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 3-(2-furyl)-2-isobutyl-1-keto-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CO3

Isomeric SMILES

CC(C)CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC=CO3

InChI

InChI=1S/C18H19NO4/c1-11(2)10-19-16(14-8-5-9-23-14)15(18(21)22)12-6-3-4-7-13(12)17(19)20/h3-9,11,15-16H,10H2,1-2H3,(H,21,22)