6-azanyl-7,7-dicyano-2-methyl-8-(5-methylfuran-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5-carboxylic acid

Systemtic Name: 6-azanyl-7,7-dicyano-2-methyl-8-(5-methylfuran-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5-carboxylic acid Openeye Name: 6-amino-7,7-dicyano-2-methyl-8-(5-methyl-2-furyl)-1,3,8,8a-tetrahydroisoquinoline-5-carboxylic acid CAS Name: 6-amino-7,7-dicyano-2-methyl-8-(5-methyl-2-furanyl)-1,3,8,8a-tetrahydroisoquinoline-5-carboxylic acid IUPAC Name: 6-amino-7,7-dicyano-2-methyl-8-(5-methylfuran-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5-carboxylic acid Traditional Name: 6-amino-7,7-dicyano-2-methyl-8-(5-methyl-2-furyl)-1,3,8,8a-tetrahydroisoquinoline-5-carboxylic acid Formula: C18H18N4O3 MolecularWeight: 338.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C(=O)O)C

Isomeric SMILES

CC1=CC=C(O1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C(=O)O)C

InChI

InChI=1S/C18H18N4O3/c1-10-3-4-13(25-10)15-12-7-22(2)6-5-11(12)14(17(23)24)16(21)18(15,8-19)9-20/h3-5,12,15H,6-7,21H2,1-2H3,(H,23,24)