2-methyl-5-[4-[3-methylbutyl-[4-(3-oxidanylbutylamino)phenyl]amino]piperidin-1-yl]-5-oxidanylidene-pentanamide

Systemtic Name: 2-methyl-5-[4-[3-methylbutyl-[4-(3-oxidanylbutylamino)phenyl]amino]piperidin-1-yl]-5-oxidanylidene-pentanamide Openeye Name: 5-[4-[4-(3-hydroxybutylamino)-N-isopentyl-anilino]-1-piperidyl]-2-methyl-5-oxo-pentanamide CAS Name: 5-[4-[4-(3-hydroxybutylamino)-N-(3-methylbutyl)anilino]-1-piperidinyl]-2-methyl-5-oxopentanamide IUPAC Name: 5-[4-[4-(3-hydroxybutylamino)-N-(3-methylbutyl)anilino]piperidin-1-yl]-2-methyl-5-oxopentanamide Traditional Name: 5-[4-[4-(3-hydroxybutylamino)-N-isoamyl-anilino]piperidino]-5-keto-2-methyl-valeramide Formula: C26H44N4O3 MolecularWeight: 460.65256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C1CCN(CC1)C(=O)CCC(C)C(=O)N)C2=CC=C(C=C2)NCCC(C)O

Isomeric SMILES

CC(C)CCN(C1CCN(CC1)C(=O)CCC(C)C(=O)N)C2=CC=C(C=C2)NCCC(C)O

InChI

InChI=1S/C26H44N4O3/c1-19(2)12-18-30(23-8-6-22(7-9-23)28-15-11-21(4)31)24-13-16-29(17-14-24)25(32)10-5-20(3)26(27)33/h6-9,19-21,24,28,31H,5,10-18H2,1-4H3,(H2,27,33)