5-[1-(2-cyanoethyl)indol-3-yl]carbonyloxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid

Systemtic Name: 5-[1-(2-cyanoethyl)indol-3-yl]carbonyloxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid Openeye Name: 5-[1-(2-cyanoethyl)indole-3-carbonyl]oxynorbornane-2,3-dicarboxylic acid CAS Name: 5-[[1-(2-cyanoethyl)-3-indolyl]-oxomethoxy]bicyclo[2.2.1]heptane-2,3-dicarboxylic acid IUPAC Name: 5-[1-(2-cyanoethyl)indole-3-carbonyl]oxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid Traditional Name: 5-[1-(2-cyanoethyl)indole-3-carbonyl]oxynorbornane-2,3-dicarboxylic acid Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC(C1C(C2C(=O)O)C(=O)O)OC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

C1C2CC(C1C(C2C(=O)O)C(=O)O)OC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H20N2O6/c22-6-3-7-23-10-14(12-4-1-2-5-15(12)23)21(28)29-16-9-11-8-13(16)18(20(26)27)17(11)19(24)25/h1-2,4-5,10-11,13,16-18H,3,7-9H2,(H,24,25)(H,26,27)