2-[2-butyl-4-methoxycarbonyl-1,3-bis(oxidanylidene)isoquinolin-4-yl]ethanoic acid

Systemtic Name: 2-[2-butyl-4-methoxycarbonyl-1,3-bis(oxidanylidene)isoquinolin-4-yl]ethanoic acid Openeye Name: 2-(2-butyl-4-methoxycarbonyl-1,3-dioxo-4-isoquinolyl)acetic acid CAS Name: 2-(2-butyl-4-methoxycarbonyl-1,3-dioxo-4-isoquinolinyl)acetic acid IUPAC Name: 2-(2-butyl-4-methoxycarbonyl-1,3-dioxoisoquinolin-4-yl)acetic acid Traditional Name: 2-(2-butyl-4-carbomethoxy-1,3-diketo-4-isoquinolyl)acetic acid Formula: C17H19NO6 MolecularWeight: 333.33586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)O)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(C1=O)(CC(=O)O)C(=O)OC

InChI

InChI=1S/C17H19NO6/c1-3-4-9-18-14(21)11-7-5-6-8-12(11)17(15(18)22,10-13(19)20)16(23)24-2/h5-8H,3-4,9-10H2,1-2H3,(H,19,20)