ditert-butyl 2-[[4-[bis(2-hydroxyethyl)amino]-3-fluoranyl-phenyl]carbonylamino]pentanedioate

Systemtic Name: ditert-butyl 2-[[4-[bis(2-hydroxyethyl)amino]-3-fluoranyl-phenyl]carbonylamino]pentanedioate Openeye Name: ditert-butyl 2-[[4-[bis(2-hydroxyethyl)amino]-3-fluoro-benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[bis(2-hydroxyethyl)amino]-3-fluorophenyl]-oxomethyl]amino]pentanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[4-[bis(2-hydroxyethyl)amino]-3-fluorobenzoyl]amino]pentanedioate Traditional Name: 2-[[4-[bis(2-hydroxyethyl)amino]-3-fluoro-benzoyl]amino]glutaric acid ditert-butyl ester Formula: C24H37FN2O7 MolecularWeight: 484.558183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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