tert-butyl 2-[[4-[cyclopropylcarbonyl(methyl)amino]phenyl]methyl]-5-fluoranyl-indole-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[cyclopropylcarbonyl(methyl)amino]phenyl]methyl]-5-fluoranyl-indole-1-carboxylate Openeye Name: tert-butyl 2-[[4-[cyclopropanecarbonyl(methyl)amino]phenyl]methyl]-5-fluoro-indole-1-carboxylate CAS Name: 2-[[4-[[cyclopropyl(oxo)methyl]-methylamino]phenyl]methyl]-5-fluoro-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[cyclopropanecarbonyl(methyl)amino]phenyl]methyl]-5-fluoroindole-1-carboxylate Traditional Name: 2-[4-[cyclopropanecarbonyl(methyl)amino]benzyl]-5-fluoro-indole-1-carboxylic acid tert-butyl ester Formula: C25H27FN2O3 MolecularWeight: 422.491883

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)F)C=C1CC3=CC=C(C=C3)N(C)C(=O)C4CC4

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)F)C=C1CC3=CC=C(C=C3)N(C)C(=O)C4CC4

InChI

InChI=1S/C25H27FN2O3/c1-25(2,3)31-24(30)28-21(15-18-14-19(26)9-12-22(18)28)13-16-5-10-20(11-6-16)27(4)23(29)17-7-8-17/h5-6,9-12,14-15,17H,7-8,13H2,1-4H3