diethyl 2,2-dimethylpropanedioate; ethyl 2-[(4-fluorophenyl)carbonylamino]oxocane-2-carboxylate

Systemtic Name: diethyl 2,2-dimethylpropanedioate; ethyl 2-[(4-fluorophenyl)carbonylamino]oxocane-2-carboxylate Openeye Name: diethyl 2,2-dimethylpropanedioate; ethyl 2-[(4-fluorobenzoyl)amino]oxocane-2-carboxylate CAS Name: 2,2-dimethylpropanedioic acid diethyl ester; 2-[[(4-fluorophenyl)-oxomethyl]amino]-2-oxocanecarboxylic acid ethyl ester IUPAC Name: diethyl 2,2-dimethylpropanedioate; ethyl 2-[(4-fluorobenzoyl)amino]oxocane-2-carboxylate Traditional Name: 2,2-dimethylmalonic acid diethyl ester; 2-[(4-fluorobenzoyl)amino]oxocane-2-carboxylic acid ethyl ester Formula: C26H38FNO8 MolecularWeight: 511.580223

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCCCCO1)NC(=O)C2=CC=C(C=C2)F.CCOC(=O)C(C)(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CCCCCCO1)NC(=O)C2=CC=C(C=C2)F.CCOC(=O)C(C)(C)C(=O)OCC

InChI

InChI=1S/C17H22FNO4.C9H16O4/c1-2-22-16(21)17(11-5-3-4-6-12-23-17)19-15(20)13-7-9-14(18)10-8-13;1-5-12-7(10)9(3,4)8(11)13-6-2/h7-10H,2-6,11-12H2,1H3,(H,19,20);5-6H2,1-4H3