(phenylmethyl) 2-[4-azanyl-4-oxidanylidene-3-[2-(pyridin-2-ylmethylamino)pentanoyloxy]butyl]tridecanoate

Systemtic Name: (phenylmethyl) 2-[4-azanyl-4-oxidanylidene-3-[2-(pyridin-2-ylmethylamino)pentanoyloxy]butyl]tridecanoate Openeye Name: benzyl 2-[4-amino-4-oxo-3-[2-(2-pyridylmethylamino)pentanoyloxy]butyl]tridecanoate CAS Name: 2-[4-amino-4-oxo-3-[1-oxo-2-(2-pyridinylmethylamino)pentoxy]butyl]tridecanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[4-amino-4-oxo-3-[2-(pyridin-2-ylmethylamino)pentanoyloxy]butyl]tridecanoate Traditional Name: 2-[4-amino-4-keto-3-[2-(2-pyridylmethylamino)pentanoyloxy]butyl]tridecanoic acid benzyl ester Formula: C35H53N3O5 MolecularWeight: 595.81242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC(C(=O)N)OC(=O)C(CCC)NCC1=CC=CC=N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCC(CCC(C(=O)N)OC(=O)C(CCC)NCC1=CC=CC=N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C35H53N3O5/c1-3-5-6-7-8-9-10-11-15-21-29(34(40)42-27-28-19-13-12-14-20-28)23-24-32(33(36)39)43-35(41)31(18-4-2)38-26-30-22-16-17-25-37-30/h12-14,16-17,19-20,22,25,29,31-32,38H,3-11,15,18,21,23-24,26-27H2,1-2H3,(H2,36,39)