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

Systemtic Name: 3-cyanopropyl 5-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-2-methoxy-benzoate Openeye Name: 3-cyanopropyl 5-[(1,3-dioxoisoindolin-2-yl)methyl]-2-methoxy-benzoate CAS Name: 5-[(1,3-dioxo-2-isoindolyl)methyl]-2-methoxybenzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzoate Traditional Name: 2-methoxy-5-(phthalimidomethyl)benzoic acid 3-cyanopropyl ester Formula: C21H18N2O5 MolecularWeight: 378.37802

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCCCC#N

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)C(=O)OCCCC#N

InChI

InChI=1S/C21H18N2O5/c1-27-18-9-8-14(12-17(18)21(26)28-11-5-4-10-22)13-23-19(24)15-6-2-3-7-16(15)20(23)25/h2-3,6-9,12H,4-5,11,13H2,1H3