3-cyanopropyl 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-ethoxy-benzoate

Systemtic Name: 3-cyanopropyl 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-ethoxy-benzoate Openeye Name: 3-cyanopropyl 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-ethoxy-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-ethoxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-ethoxybenzoate Traditional Name: 2-ethoxy-5-(phthalimidomethyl)benzoic acid 3-cyanopropyl ester Formula: C22H20N2O5 MolecularWeight: 392.4046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCCCC#N

Isomeric SMILES

CCOC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCCCC#N

InChI

InChI=1S/C22H20N2O5/c1-2-28-19-10-9-15(13-18(19)22(27)29-12-6-5-11-23)14-24-20(25)16-7-3-4-8-17(16)21(24)26/h3-4,7-10,13H,2,5-6,12,14H2,1H3