2-[[4-[bis(2-hydroxyethyl)amino]-2-fluoranyl-phenyl]carbonyl-tert-butyl-amino]-2-tert-butyl-pentanedioic acid

Systemtic Name: 2-[[4-[bis(2-hydroxyethyl)amino]-2-fluoranyl-phenyl]carbonyl-tert-butyl-amino]-2-tert-butyl-pentanedioic acid Openeye Name: 2-[[4-[bis(2-hydroxyethyl)amino]-2-fluoro-benzoyl]-tert-butyl-amino]-2-tert-butyl-pentanedioic acid CAS Name: 2-[[[4-[bis(2-hydroxyethyl)amino]-2-fluorophenyl]-oxomethyl]-tert-butylamino]-2-tert-butylpentanedioic acid IUPAC Name: 2-[[4-[bis(2-hydroxyethyl)amino]-2-fluorobenzoyl]-tert-butylamino]-2-tert-butylpentanedioic acid Traditional Name: 2-[[4-[bis(2-hydroxyethyl)amino]-2-fluoro-benzoyl]-tert-butyl-amino]-2-tert-butyl-glutaric acid Formula: C24H37FN2O7 MolecularWeight: 484.558183

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CCC(=O)O)(C(=O)O)N(C(=O)C1=C(C=C(C=C1)N(CCO)CCO)F)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(CCC(=O)O)(C(=O)O)N(C(=O)C1=C(C=C(C=C1)N(CCO)CCO)F)C(C)(C)C

InChI

InChI=1S/C24H37FN2O7/c1-22(2,3)24(21(33)34,10-9-19(30)31)27(23(4,5)6)20(32)17-8-7-16(15-18(17)25)26(11-13-28)12-14-29/h7-8,15,28-29H,9-14H2,1-6H3,(H,30,31)(H,33,34)