4-azanyl-4-[chloranyl(phenyl)methyl]octadecan-3-one

Systemtic Name: 4-azanyl-4-[chloranyl(phenyl)methyl]octadecan-3-one Openeye Name: 4-amino-4-[chloro(phenyl)methyl]octadecan-3-one CAS Name: 4-amino-4-[chloro(phenyl)methyl]-3-octadecanone IUPAC Name: 4-amino-4-[chloro(phenyl)methyl]octadecan-3-one Traditional Name: 4-amino-4-[chloro(phenyl)methyl]octadecan-3-one Formula: C25H42ClNO MolecularWeight: 408.06008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(C(C1=CC=CC=C1)Cl)(C(=O)CC)N

Isomeric SMILES

CCCCCCCCCCCCCCC(C(C1=CC=CC=C1)Cl)(C(=O)CC)N

InChI

InChI=1S/C25H42ClNO/c1-3-5-6-7-8-9-10-11-12-13-14-18-21-25(27,23(28)4-2)24(26)22-19-16-15-17-20-22/h15-17,19-20,24H,3-14,18,21,27H2,1-2H3