[3-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]phenyl] propanoate

Systemtic Name: [3-[[2-butyl-1,3-bis(oxidanylidene)isoindol-5-yl]carbonylamino]phenyl] propanoate Openeye Name: [3-[(2-butyl-1,3-dioxo-isoindoline-5-carbonyl)amino]phenyl] propanoate CAS Name: propanoic acid [3-[[(2-butyl-1,3-dioxo-5-isoindolyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(2-butyl-1,3-dioxoisoindole-5-carbonyl)amino]phenyl] propanoate Traditional Name: propionic acid [3-[(2-butyl-1,3-diketo-isoindoline-5-carbonyl)amino]phenyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC(=O)CC

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC(=O)CC

InChI

InChI=1S/C22H22N2O5/c1-3-5-11-24-21(27)17-10-9-14(12-18(17)22(24)28)20(26)23-15-7-6-8-16(13-15)29-19(25)4-2/h6-10,12-13H,3-5,11H2,1-2H3,(H,23,26)