methyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoyl]amino]-5-bromanyl-benzoate

Systemtic Name: methyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoyl]amino]-5-bromanyl-benzoate Openeye Name: methyl 5-bromo-2-[[2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoyl]amino]benzoate CAS Name: 5-bromo-2-[[2-(1,3-dioxo-2-isoindolyl)-4-methyl-1-oxopentyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]amino]benzoate Traditional Name: 5-bromo-2-[(4-methyl-2-phthalimido-pentanoyl)amino]benzoic acid methyl ester Formula: C22H21BrN2O5 MolecularWeight: 473.31654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)CC(C(=O)NC1=C(C=C(C=C1)Br)C(=O)OC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21BrN2O5/c1-12(2)10-18(25-20(27)14-6-4-5-7-15(14)21(25)28)19(26)24-17-9-8-13(23)11-16(17)22(29)30-3/h4-9,11-12,18H,10H2,1-3H3,(H,24,26)