methyl 2-hexyl-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-hexyl-1,3-bis(oxidanylidene)-4H-isoquinoline-4-carboxylate Openeye Name: methyl 2-hexyl-1,3-dioxo-4H-isoquinoline-4-carboxylate CAS Name: 2-hexyl-1,3-dioxo-4H-isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 2-hexyl-1,3-dioxo-4H-isoquinoline-4-carboxylate Traditional Name: 2-hexyl-1,3-diketo-4H-isoquinoline-4-carboxylic acid methyl ester Formula: C17H21NO4 MolecularWeight: 303.35294

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C(C2=CC=CC=C2C1=O)C(=O)OC

Isomeric SMILES

CCCCCCN1C(=O)C(C2=CC=CC=C2C1=O)C(=O)OC

InChI

InChI=1S/C17H21NO4/c1-3-4-5-8-11-18-15(19)13-10-7-6-9-12(13)14(16(18)20)17(21)22-2/h6-7,9-10,14H,3-5,8,11H2,1-2H3