methyl 1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,5-dibutyl-pyrrole-2-carboxylate

Systemtic Name: methyl 1-[1,3-bis(oxidanylidene)isoindol-2-yl]-3,5-dibutyl-pyrrole-2-carboxylate Openeye Name: methyl 3,5-dibutyl-1-(1,3-dioxoisoindolin-2-yl)pyrrole-2-carboxylate CAS Name: 3,5-dibutyl-1-(1,3-dioxo-2-isoindolyl)-2-pyrrolecarboxylic acid methyl ester IUPAC Name: methyl 3,5-dibutyl-1-(1,3-dioxoisoindol-2-yl)pyrrole-2-carboxylate Traditional Name: 3,5-dibutyl-1-phthalimido-pyrrole-2-carboxylic acid methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(N1N2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)CCCC

Isomeric SMILES

CCCCC1=CC(=C(N1N2C(=O)C3=CC=CC=C3C2=O)C(=O)OC)CCCC

InChI

InChI=1S/C22H26N2O4/c1-4-6-10-15-14-16(11-7-5-2)23(19(15)22(27)28-3)24-20(25)17-12-8-9-13-18(17)21(24)26/h8-9,12-14H,4-7,10-11H2,1-3H3