2-[4-[(16-methoxy-16-oxidanylidene-hexadecyl)amino]phenyl]carbonyloxybutanedioic acid

Systemtic Name: 2-[4-[(16-methoxy-16-oxidanylidene-hexadecyl)amino]phenyl]carbonyloxybutanedioic acid Openeye Name: 2-[4-[(16-methoxy-16-oxo-hexadecyl)amino]benzoyl]oxybutanedioic acid CAS Name: 2-[[4-[(16-methoxy-16-oxohexadecyl)amino]phenyl]-oxomethoxy]butanedioic acid IUPAC Name: 2-[4-[(16-methoxy-16-oxohexadecyl)amino]benzoyl]oxybutanedioic acid Traditional Name: 2-[4-[(16-keto-16-methoxy-hexadecyl)amino]benzoyl]oxysuccinic acid Formula: C28H43NO8 MolecularWeight: 521.64292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CC(=O)O)C(=O)O

Isomeric SMILES

COC(=O)CCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)OC(CC(=O)O)C(=O)O

InChI

InChI=1S/C28H43NO8/c1-36-26(32)15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-29-23-18-16-22(17-19-23)28(35)37-24(27(33)34)21-25(30)31/h16-19,24,29H,2-15,20-21H2,1H3,(H,30,31)(H,33,34)