2-[(E)-1-(4-aminocarbonyloxyphenyl)-18-azanyl-18-oxidanylidene-octadec-9-enoxy]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[(E)-1-(4-aminocarbonyloxyphenyl)-18-azanyl-18-oxidanylidene-octadec-9-enoxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[(E)-18-amino-1-(4-carbamoyloxyphenyl)-18-oxo-octadec-9-enoxy]-2-oxo-acetic acid CAS Name: 2-[(E)-18-amino-1-(4-carbamoyloxyphenyl)-18-oxooctadec-9-enoxy]-2-oxoacetic acid IUPAC Name: 2-[(E)-18-amino-1-(4-carbamoyloxyphenyl)-18-oxooctadec-9-enoxy]-2-oxoacetic acid Traditional Name: 2-[(E)-18-amino-1-(4-carbamoyloxyphenyl)-18-keto-octadec-9-enoxy]-2-keto-acetic acid Formula: C27H40N2O7 MolecularWeight: 504.6157

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCCCCCCC=CCCCCCCCC(=O)N)OC(=O)C(=O)O)OC(=O)N

Isomeric SMILES

C1=CC(=CC=C1C(CCCCCCC/C=C/CCCCCCCC(=O)N)OC(=O)C(=O)O)OC(=O)N

InChI

InChI=1S/C27H40N2O7/c28-24(30)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-23(36-26(33)25(31)32)21-17-19-22(20-18-21)35-27(29)34/h1-2,17-20,23H,3-16H2,(H2,28,30)(H2,29,34)(H,31,32)/b2-1+