2-(7-butyl-3-oxidanylidene-1H-isoindol-2-yl)butanedioic acid

Systemtic Name: 2-(7-butyl-3-oxidanylidene-1H-isoindol-2-yl)butanedioic acid Openeye Name: 2-(4-butyl-1-oxo-isoindolin-2-yl)butanedioic acid CAS Name: 2-(7-butyl-3-oxo-1H-isoindol-2-yl)butanedioic acid IUPAC Name: 2-(7-butyl-3-oxo-1H-isoindol-2-yl)butanedioic acid Traditional Name: 2-(4-butyl-1-keto-isoindolin-2-yl)succinic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC2=C1CN(C2=O)C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=CC2=C1CN(C2=O)C(CC(=O)O)C(=O)O

InChI

InChI=1S/C16H19NO5/c1-2-3-5-10-6-4-7-11-12(10)9-17(15(11)20)13(16(21)22)8-14(18)19/h4,6-7,13H,2-3,5,8-9H2,1H3,(H,18,19)(H,21,22)