5-chloranyl-2-[(6-ethoxycarbonyl-4-methoxycarbonyl-2,2,4-trimethyl-octanoyl)amino]benzoic acid

Systemtic Name: 5-chloranyl-2-[(6-ethoxycarbonyl-4-methoxycarbonyl-2,2,4-trimethyl-octanoyl)amino]benzoic acid Openeye Name: 5-chloro-2-[(6-ethoxycarbonyl-4-methoxycarbonyl-2,2,4-trimethyl-octanoyl)amino]benzoic acid CAS Name: 5-chloro-2-[(6-ethoxycarbonyl-4-methoxycarbonyl-2,2,4-trimethyl-1-oxooctyl)amino]benzoic acid IUPAC Name: 5-chloro-2-[(6-ethoxycarbonyl-4-methoxycarbonyl-2,2,4-trimethyloctanoyl)amino]benzoic acid Traditional Name: 2-[(6-carbethoxy-4-carbomethoxy-2,2,4-trimethyl-octanoyl)amino]-5-chloro-benzoic acid Formula: C23H32ClNO7 MolecularWeight: 469.95568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(CC(C)(C)C(=O)NC1=C(C=C(C=C1)Cl)C(=O)O)C(=O)OC)C(=O)OCC

Isomeric SMILES

CCC(CC(C)(CC(C)(C)C(=O)NC1=C(C=C(C=C1)Cl)C(=O)O)C(=O)OC)C(=O)OCC

InChI

InChI=1S/C23H32ClNO7/c1-7-14(19(28)32-8-2)12-23(5,21(30)31-6)13-22(3,4)20(29)25-17-10-9-15(24)11-16(17)18(26)27/h9-11,14H,7-8,12-13H2,1-6H3,(H,25,29)(H,26,27)