(3S)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-tert-butylphenyl)propanoate

Systemtic Name: (3S)-3-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-(4-tert-butylphenyl)propanoate Openeye Name: (3S)-3-(4-tert-butylphenyl)-3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: (3S)-3-(4-tert-butylphenyl)-3-(1,3-dioxo-2-isoindolyl)propanoate IUPAC Name: (3S)-3-(4-tert-butylphenyl)-3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: (3S)-3-(4-tert-butylphenyl)-3-phthalimido-propionate Formula: C21H20NO4- MolecularWeight: 350.3878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(CC(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)[C@H](CC(=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H21NO4/c1-21(2,3)14-10-8-13(9-11-14)17(12-18(23)24)22-19(25)15-6-4-5-7-16(15)20(22)26/h4-11,17H,12H2,1-3H3,(H,23,24)/p-1/t17-/m0/s1