ethyl 7-[[1-(cyclohexylamino)-1-oxidanylidene-octan-2-yl]-phenethyl-amino]-7-oxidanylidene-heptanoate

Systemtic Name: ethyl 7-[[1-(cyclohexylamino)-1-oxidanylidene-octan-2-yl]-phenethyl-amino]-7-oxidanylidene-heptanoate Openeye Name: ethyl 7-[1-(cyclohexylcarbamoyl)heptyl-phenethyl-amino]-7-oxo-heptanoate CAS Name: 7-[[1-(cyclohexylamino)-1-oxooctan-2-yl]-phenethylamino]-7-oxoheptanoic acid ethyl ester IUPAC Name: ethyl 7-[[1-(cyclohexylamino)-1-oxooctan-2-yl]-phenethylamino]-7-oxoheptanoate Traditional Name: 7-[1-(cyclohexylcarbamoyl)heptyl-phenethyl-amino]-7-keto-enanthic acid ethyl ester Formula: C31H50N2O4 MolecularWeight: 514.7397

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)NC1CCCCC1)N(CCC2=CC=CC=C2)C(=O)CCCCCC(=O)OCC

Isomeric SMILES

CCCCCCC(C(=O)NC1CCCCC1)N(CCC2=CC=CC=C2)C(=O)CCCCCC(=O)OCC

InChI

InChI=1S/C31H50N2O4/c1-3-5-6-14-21-28(31(36)32-27-19-12-8-13-20-27)33(25-24-26-17-10-7-11-18-26)29(34)22-15-9-16-23-30(35)37-4-2/h7,10-11,17-18,27-28H,3-6,8-9,12-16,19-25H2,1-2H3,(H,32,36)