diethyl 2-[4-[(16-methoxy-16-oxidanylidene-hexadecyl)amino]phenyl]carbonyloxy-3-oxidanyl-butanedioate

Systemtic Name: diethyl 2-[4-[(16-methoxy-16-oxidanylidene-hexadecyl)amino]phenyl]carbonyloxy-3-oxidanyl-butanedioate Openeye Name: diethyl 2-hydroxy-3-[4-[(16-methoxy-16-oxo-hexadecyl)amino]benzoyl]oxy-butanedioate CAS Name: 2-hydroxy-3-[[4-[(16-methoxy-16-oxohexadecyl)amino]phenyl]-oxomethoxy]butanedioic acid diethyl ester IUPAC Name: diethyl 2-hydroxy-3-[4-[(16-methoxy-16-oxohexadecyl)amino]benzoyl]oxybutanedioate Traditional Name: 2-hydroxy-3-[4-[(16-keto-16-methoxy-hexadecyl)amino]benzoyl]oxy-succinic acid diethyl ester Formula: C32H51NO9 MolecularWeight: 593.74864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H51NO9/c1-4-40-31(37)28(35)29(32(38)41-5-2)42-30(36)25-20-22-26(23-21-25)33-24-18-16-14-12-10-8-6-7-9-11-13-15-17-19-27(34)39-3/h20-23,28-29,33,35H,4-19,24H2,1-3H3