(4-iodophenyl)methyl 2-[[(E)-octadec-9-enoyl]amino]ethanoate

Systemtic Name: (4-iodophenyl)methyl 2-[[(E)-octadec-9-enoyl]amino]ethanoate Openeye Name: (4-iodophenyl)methyl 2-[[(E)-octadec-9-enoyl]amino]acetate CAS Name: 2-[[(E)-1-oxooctadec-9-enyl]amino]acetic acid (4-iodophenyl)methyl ester IUPAC Name: (4-iodophenyl)methyl 2-[[(E)-octadec-9-enoyl]amino]acetate Traditional Name: 2-[[(E)-octadec-9-enoyl]amino]acetic acid (4-iodobenzyl) ester Formula: C27H42INO3 MolecularWeight: 555.53175

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)NCC(=O)OCC1=CC=C(C=C1)I

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)NCC(=O)OCC1=CC=C(C=C1)I

InChI

InChI=1S/C27H42INO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)29-22-27(31)32-23-24-18-20-25(28)21-19-24/h9-10,18-21H,2-8,11-17,22-23H2,1H3,(H,29,30)/b10-9+