methyl 4-[11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecanoylamino]benzoate

Systemtic Name: methyl 4-[11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecanoylamino]benzoate Openeye Name: methyl 4-[11-(1,3-dioxoisoindolin-2-yl)undecanoylamino]benzoate CAS Name: 4-[[11-(1,3-dioxo-2-isoindolyl)-1-oxoundecyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[11-(1,3-dioxoisoindol-2-yl)undecanoylamino]benzoate Traditional Name: 4-(11-phthalimidoundecanoylamino)benzoic acid methyl ester Formula: C27H32N2O5 MolecularWeight: 464.55338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C27H32N2O5/c1-34-27(33)20-15-17-21(18-16-20)28-24(30)14-8-6-4-2-3-5-7-11-19-29-25(31)22-12-9-10-13-23(22)26(29)32/h9-10,12-13,15-18H,2-8,11,14,19H2,1H3,(H,28,30)