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

Systemtic Name: diethyl 2-[4-(hexadecylamino)phenyl]carbonyloxy-3-oxidanyl-butanedioate Openeye Name: diethyl 2-[4-(hexadecylamino)benzoyl]oxy-3-hydroxy-butanedioate CAS Name: 2-[[4-(hexadecylamino)phenyl]-oxomethoxy]-3-hydroxybutanedioic acid diethyl ester IUPAC Name: diethyl 2-[4-(hexadecylamino)benzoyl]oxy-3-hydroxybutanedioate Traditional Name: 2-[4-(cetylamino)benzoyl]oxy-3-hydroxy-succinic acid diethyl ester Formula: C31H51NO7 MolecularWeight: 549.73914

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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

Isomeric SMILES

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

InChI

InChI=1S/C31H51NO7/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-26-22-20-25(21-23-26)29(34)39-28(31(36)38-6-3)27(33)30(35)37-5-2/h20-23,27-28,32-33H,4-19,24H2,1-3H3