2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-isoindol-2-yl-3-phenyl-propanoyl]amino]hex-5-enoic acid

Systemtic Name: 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-isoindol-2-yl-3-phenyl-propanoyl]amino]hex-5-enoic acid Openeye Name: 2-[[2-(1,3-dioxoisoindolin-2-yl)-2-isoindol-2-yl-3-phenyl-propanoyl]amino]hex-5-enoic acid CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-2-(2-isoindolyl)-1-oxo-3-phenylpropyl]amino]-5-hexenoic acid IUPAC Name: 2-[[2-(1,3-dioxoisoindol-2-yl)-2-isoindol-2-yl-3-phenylpropanoyl]amino]hex-5-enoic acid Traditional Name: 2-[(2-isoindol-2-yl-3-phenyl-2-phthalimido-propanoyl)amino]hex-5-enoic acid Formula: C31H27N3O5 MolecularWeight: 521.56318

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)(N2C=C3C=CC=CC3=C2)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C=CCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)(N2C=C3C=CC=CC3=C2)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C31H27N3O5/c1-2-3-17-26(29(37)38)32-30(39)31(18-21-11-5-4-6-12-21,33-19-22-13-7-8-14-23(22)20-33)34-27(35)24-15-9-10-16-25(24)28(34)36/h2,4-16,19-20,26H,1,3,17-18H2,(H,32,39)(H,37,38)