diethyl 2-[2-fluoranyl-4-(hexadecylamino)phenyl]carbonyloxy-3-oxidanyl-butanedioate

Systemtic Name: diethyl 2-[2-fluoranyl-4-(hexadecylamino)phenyl]carbonyloxy-3-oxidanyl-butanedioate Openeye Name: diethyl 2-[2-fluoro-4-(hexadecylamino)benzoyl]oxy-3-hydroxy-butanedioate CAS Name: 2-[[2-fluoro-4-(hexadecylamino)phenyl]-oxomethoxy]-3-hydroxybutanedioic acid diethyl ester IUPAC Name: diethyl 2-[2-fluoro-4-(hexadecylamino)benzoyl]oxy-3-hydroxybutanedioate Traditional Name: 2-[4-(cetylamino)-2-fluoro-benzoyl]oxy-3-hydroxy-succinic acid diethyl ester Formula: C31H50FNO7 MolecularWeight: 567.729603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)OC(C(C(=O)OCC)O)C(=O)OCC)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC(=C(C=C1)C(=O)OC(C(C(=O)OCC)O)C(=O)OCC)F

InChI

InChI=1S/C31H50FNO7/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-22-33-24-20-21-25(26(32)23-24)29(35)40-28(31(37)39-6-3)27(34)30(36)38-5-2/h20-21,23,27-28,33-34H,4-19,22H2,1-3H3