tert-butyl (E)-2-[5-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-5-phenyl-pent-4-enoate

Systemtic Name: tert-butyl (E)-2-[5-[5-methyl-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoylamino]-5-phenyl-pent-4-enoate Openeye Name: tert-butyl (E)-2-[5-(5-methyl-1,3-dioxo-isoindolin-2-yl)pentanoylamino]-5-phenyl-pent-4-enoate CAS Name: (E)-2-[[5-(5-methyl-1,3-dioxo-2-isoindolyl)-1-oxopentyl]amino]-5-phenyl-4-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-2-[5-(5-methyl-1,3-dioxoisoindol-2-yl)pentanoylamino]-5-phenylpent-4-enoate Traditional Name: (E)-2-[5-(1,3-diketo-5-methyl-isoindolin-2-yl)pentanoylamino]-5-phenyl-pent-4-enoic acid tert-butyl ester Formula: C29H34N2O5 MolecularWeight: 490.59066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCCC(=O)NC(CC=CC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N(C2=O)CCCCC(=O)NC(C/C=C/C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H34N2O5/c1-20-16-17-22-23(19-20)27(34)31(26(22)33)18-9-8-15-25(32)30-24(28(35)36-29(2,3)4)14-10-13-21-11-6-5-7-12-21/h5-7,10-13,16-17,19,24H,8-9,14-15,18H2,1-4H3,(H,30,32)/b13-10+