(1Z)-3,3-dimethyl-1-(2-oxidanylidene-2-pyridin-3-yl-ethylidene)-2,4-dihydroisoquinoline-6-carboxylic acid

Systemtic Name: (1Z)-3,3-dimethyl-1-(2-oxidanylidene-2-pyridin-3-yl-ethylidene)-2,4-dihydroisoquinoline-6-carboxylic acid Openeye Name: (1Z)-3,3-dimethyl-1-[2-oxo-2-(3-pyridyl)ethylidene]-2,4-dihydroisoquinoline-6-carboxylic acid CAS Name: (1Z)-3,3-dimethyl-1-[2-oxo-2-(3-pyridinyl)ethylidene]-2,4-dihydroisoquinoline-6-carboxylic acid IUPAC Name: (1Z)-3,3-dimethyl-1-(2-oxo-2-pyridin-3-ylethylidene)-2,4-dihydroisoquinoline-6-carboxylic acid Traditional Name: (1Z)-1-[2-keto-2-(3-pyridyl)ethylidene]-3,3-dimethyl-2,4-dihydroisoquinoline-6-carboxylic acid Formula: C19H18N2O3 MolecularWeight: 322.35782

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=CC(=C2)C(=O)O)C(=CC(=O)C3=CN=CC=C3)N1)C

Isomeric SMILES

CC1(CC2=C(C=CC(=C2)C(=O)O)/C(=C/C(=O)C3=CN=CC=C3)/N1)C

InChI

InChI=1S/C19H18N2O3/c1-19(2)10-14-8-12(18(23)24)5-6-15(14)16(21-19)9-17(22)13-4-3-7-20-11-13/h3-9,11,21H,10H2,1-2H3,(H,23,24)/b16-9-