phenyl 5-(2-azanylpropan-2-yl)heptadecanoate

Systemtic Name: phenyl 5-(2-azanylpropan-2-yl)heptadecanoate Openeye Name: phenyl 5-(1-amino-1-methyl-ethyl)heptadecanoate CAS Name: 5-(2-aminopropan-2-yl)heptadecanoic acid phenyl ester IUPAC Name: phenyl 5-(2-aminopropan-2-yl)heptadecanoate Traditional Name: 5-(1-amino-1-methyl-ethyl)heptadecanoic acid phenyl ester Formula: C26H45NO2 MolecularWeight: 403.641

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCCC(=O)OC1=CC=CC=C1)C(C)(C)N

Isomeric SMILES

CCCCCCCCCCCCC(CCCC(=O)OC1=CC=CC=C1)C(C)(C)N

InChI

InChI=1S/C26H45NO2/c1-4-5-6-7-8-9-10-11-12-14-18-23(26(2,3)27)19-17-22-25(28)29-24-20-15-13-16-21-24/h13,15-16,20-21,23H,4-12,14,17-19,22,27H2,1-3H3