[4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]phenyl] 4-tert-butylbenzoate

Systemtic Name: [4-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]phenyl] 4-tert-butylbenzoate Openeye Name: [4-[2-(1,3-dioxoisoindolin-2-yl)ethyl]phenyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[2-(1,3-dioxo-2-isoindolyl)ethyl]phenyl] ester IUPAC Name: [4-[2-(1,3-dioxoisoindol-2-yl)ethyl]phenyl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-(2-phthalimidoethyl)phenyl] ester Formula: C27H25NO4 MolecularWeight: 427.4917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H25NO4/c1-27(2,3)20-12-10-19(11-13-20)26(31)32-21-14-8-18(9-15-21)16-17-28-24(29)22-6-4-5-7-23(22)25(28)30/h4-15H,16-17H2,1-3H3