diethyl 2-[4-(16-bromanylhexadecylamino)phenyl]carbonyloxy-3-oxidanyl-butanedioate

Systemtic Name: diethyl 2-[4-(16-bromanylhexadecylamino)phenyl]carbonyloxy-3-oxidanyl-butanedioate Openeye Name: diethyl 2-[4-(16-bromohexadecylamino)benzoyl]oxy-3-hydroxy-butanedioate CAS Name: 2-[[4-(16-bromohexadecylamino)phenyl]-oxomethoxy]-3-hydroxybutanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(16-bromohexadecylamino)benzoyl]oxy-3-hydroxybutanedioate Traditional Name: 2-[4-(16-bromohexadecylamino)benzoyl]oxy-3-hydroxy-succinic acid diethyl ester Formula: C31H50BrNO7 MolecularWeight: 628.6352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C(=O)OCC)OC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCBr)O

Isomeric SMILES

CCOC(=O)C(C(C(=O)OCC)OC(=O)C1=CC=C(C=C1)NCCCCCCCCCCCCCCCCBr)O

InChI

InChI=1S/C31H50BrNO7/c1-3-38-30(36)27(34)28(31(37)39-4-2)40-29(35)25-19-21-26(22-20-25)33-24-18-16-14-12-10-8-6-5-7-9-11-13-15-17-23-32/h19-22,27-28,33-34H,3-18,23-24H2,1-2H3