3-methylbutyl (E)-3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]prop-2-enoate

Systemtic Name: 3-methylbutyl (E)-3-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl]prop-2-enoate Openeye Name: isopentyl (E)-3-[3-(1,3-dioxoisoindolin-2-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(1,3-dioxo-2-isoindolyl)phenyl]-2-propenoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (E)-3-[3-(1,3-dioxoisoindol-2-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-(3-phthalimidophenyl)acrylic acid isoamyl ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C=CC1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)CCOC(=O)/C=C/C1=CC(=CC=C1)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO4/c1-15(2)12-13-27-20(24)11-10-16-6-5-7-17(14-16)23-21(25)18-8-3-4-9-19(18)22(23)26/h3-11,14-15H,12-13H2,1-2H3/b11-10+