octyl (3S)-3-[(ethoxycarbonylamino)methyl]-5-methyl-hexanoate

Systemtic Name: octyl (3S)-3-[(ethoxycarbonylamino)methyl]-5-methyl-hexanoate Openeye Name: octyl (3S)-3-[(ethoxycarbonylamino)methyl]-5-methyl-hexanoate CAS Name: (3S)-3-[(ethoxycarbonylamino)methyl]-5-methylhexanoic acid octyl ester IUPAC Name: octyl (3S)-3-[(ethoxycarbonylamino)methyl]-5-methylhexanoate Traditional Name: (3S)-3-[(carbethoxyamino)methyl]-5-methyl-hexanoic acid octyl ester Formula: C19H37NO4 MolecularWeight: 343.50138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(CC(C)C)CNC(=O)OCC

Isomeric SMILES

CCCCCCCCOC(=O)C[C@H](CC(C)C)CNC(=O)OCC

InChI

InChI=1S/C19H37NO4/c1-5-7-8-9-10-11-12-24-18(21)14-17(13-16(3)4)15-20-19(22)23-6-2/h16-17H,5-15H2,1-4H3,(H,20,22)/t17-/m0/s1