6-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[[1,3-bis(oxidanylidene)-2-prop-2-enyl-isoindol-5-yl]carbonylamino]hexanoic acid Openeye Name: 6-[(2-allyl-1,3-dioxo-isoindoline-5-carbonyl)amino]hexanoic acid CAS Name: 6-[[(1,3-dioxo-2-prop-2-enyl-5-isoindolyl)-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[(1,3-dioxo-2-prop-2-enylisoindole-5-carbonyl)amino]hexanoic acid Traditional Name: 6-[(2-allyl-1,3-diketo-isoindoline-5-carbonyl)amino]hexanoic acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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)NCCCCCC(=O)O

Isomeric SMILES

C=CCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NCCCCCC(=O)O

InChI

InChI=1S/C18H20N2O5/c1-2-10-20-17(24)13-8-7-12(11-14(13)18(20)25)16(23)19-9-5-3-4-6-15(21)22/h2,7-8,11H,1,3-6,9-10H2,(H,19,23)(H,21,22)