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

Systemtic Name: [3-[[1,3-bis(oxidanylidene)-2-propyl-isoindol-5-yl]carbonylamino]phenyl] propanoate Openeye Name: [3-[(1,3-dioxo-2-propyl-isoindoline-5-carbonyl)amino]phenyl] propanoate CAS Name: propanoic acid [3-[[(1,3-dioxo-2-propyl-5-isoindolyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [3-[(1,3-dioxo-2-propylisoindole-5-carbonyl)amino]phenyl] propanoate Traditional Name: propionic acid [3-[(1,3-diketo-2-propyl-isoindoline-5-carbonyl)amino]phenyl] ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC(=O)CC

Isomeric SMILES

CCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=CC(=CC=C3)OC(=O)CC

InChI

InChI=1S/C21H20N2O5/c1-3-10-23-20(26)16-9-8-13(11-17(16)21(23)27)19(25)22-14-6-5-7-15(12-14)28-18(24)4-2/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,25)