[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)phenyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [3-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)phenyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid (3-phthalimidophenyl) ester Formula: C25H27NO4 MolecularWeight: 405.48618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C(=O)OC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCC1CCC(CC1)C(=O)OC2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H27NO4/c1-2-3-7-17-12-14-18(15-13-17)25(29)30-20-9-6-8-19(16-20)26-23(27)21-10-4-5-11-22(21)24(26)28/h4-6,8-11,16-18H,2-3,7,12-15H2,1H3