[2-methoxy-4-[(octadec-9-ynoylamino)methyl]phenyl] ethanoate

Systemtic Name: [2-methoxy-4-[(octadec-9-ynoylamino)methyl]phenyl] ethanoate Openeye Name: [2-methoxy-4-[(octadec-9-ynoylamino)methyl]phenyl] acetate CAS Name: acetic acid [2-methoxy-4-[(1-oxooctadec-9-ynylamino)methyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(octadec-9-ynoylamino)methyl]phenyl] acetate Traditional Name: acetic acid [2-methoxy-4-[(octadec-9-ynoylamino)methyl]phenyl] ester Formula: C28H43NO4 MolecularWeight: 457.64532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CCCCCCCCC(=O)NCC1=CC(=C(C=C1)OC(=O)C)OC

Isomeric SMILES

CCCCCCCCC#CCCCCCCCC(=O)NCC1=CC(=C(C=C1)OC(=O)C)OC

InChI

InChI=1S/C28H43NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(31)29-23-25-20-21-26(33-24(2)30)27(22-25)32-3/h20-22H,4-10,13-19,23H2,1-3H3,(H,29,31)