1-[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylpiperidine-4-carboxylic acid Openeye Name: 1-(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)piperidine-4-carboxylic acid Traditional Name: 1-(2-allyl-1,3-diketo-isoindoline-5-carbonyl)isonipecotic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCC(CC3)C(=O)O

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C18H18N2O5/c1-2-7-20-16(22)13-4-3-12(10-14(13)17(20)23)15(21)19-8-5-11(6-9-19)18(24)25/h2-4,10-11H,1,5-9H2,(H,24,25)