octyl 4-[6-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-6-oxidanylidene-hexoxy]benzoate

Systemtic Name: octyl 4-[6-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-6-oxidanylidene-hexoxy]benzoate Openeye Name: octyl 4-[6-[[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-6-oxo-hexoxy]benzoate CAS Name: 4-[6-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-6-oxohexoxy]benzoic acid octyl ester IUPAC Name: octyl 4-[6-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-6-oxohexoxy]benzoate Traditional Name: 4-[6-[(2-amino-2-keto-1-methylol-ethyl)amino]-6-keto-hexoxy]benzoic acid octyl ester Formula: C24H38N2O6 MolecularWeight: 450.56832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCCCCCC(=O)NC(CO)C(=O)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCCCCCC(=O)NC(CO)C(=O)N

InChI

InChI=1S/C24H38N2O6/c1-2-3-4-5-6-9-17-32-24(30)19-12-14-20(15-13-19)31-16-10-7-8-11-22(28)26-21(18-27)23(25)29/h12-15,21,27H,2-11,16-18H2,1H3,(H2,25,29)(H,26,28)