dimethyl 5-(3-cyanopropyl)-1,3-dihydroindene-2,2-dicarboxylate

Systemtic Name: dimethyl 5-(3-cyanopropyl)-1,3-dihydroindene-2,2-dicarboxylate Openeye Name: dimethyl 5-(3-cyanopropyl)indane-2,2-dicarboxylate CAS Name: 5-(3-cyanopropyl)-1,3-dihydroindene-2,2-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(3-cyanopropyl)-1,3-dihydroindene-2,2-dicarboxylate Traditional Name: 5-(3-cyanopropyl)indane-2,2-dicarboxylic acid dimethyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC2=C(C1)C=C(C=C2)CCCC#N)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC2=C(C1)C=C(C=C2)CCCC#N)C(=O)OC

InChI

InChI=1S/C17H19NO4/c1-21-15(19)17(16(20)22-2)10-13-7-6-12(5-3-4-8-18)9-14(13)11-17/h6-7,9H,3-5,10-11H2,1-2H3