ditert-butyl 2-[(5-fluoranyl-1-methyl-indol-2-yl)methyl]-2-[(Z)-pent-2-enyl]propanedioate

Systemtic Name: ditert-butyl 2-[(5-fluoranyl-1-methyl-indol-2-yl)methyl]-2-[(Z)-pent-2-enyl]propanedioate Openeye Name: ditert-butyl 2-[(5-fluoro-1-methyl-indol-2-yl)methyl]-2-[(Z)-pent-2-enyl]propanedioate CAS Name: 2-[(5-fluoro-1-methyl-2-indolyl)methyl]-2-[(Z)-pent-2-enyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(5-fluoro-1-methylindol-2-yl)methyl]-2-[(Z)-pent-2-enyl]propanedioate Traditional Name: 2-[(5-fluoro-1-methyl-indol-2-yl)methyl]-2-[(Z)-pent-2-enyl]malonic acid ditert-butyl ester Formula: C26H36FNO4 MolecularWeight: 445.566743

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC(CC1=CC2=C(N1C)C=CC(=C2)F)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC/C=C\CC(CC1=CC2=C(N1C)C=CC(=C2)F)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C26H36FNO4/c1-9-10-11-14-26(22(29)31-24(2,3)4,23(30)32-25(5,6)7)17-20-16-18-15-19(27)12-13-21(18)28(20)8/h10-13,15-16H,9,14,17H2,1-8H3/b11-10-