4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]butyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)butyl 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic acid 4-(1,3-dioxo-2-isoindolyl)butyl ester IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)butyl 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid 4-phthalimidobutyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)OCCCCN2C(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C21H24N2O4/c1-4-22-14(2)13-18(15(22)3)21(26)27-12-8-7-11-23-19(24)16-9-5-6-10-17(16)20(23)25/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3