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

Systemtic Name: octyl 4-[2-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: octyl 4-[2-[[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]amino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-2-oxoethoxy]benzoic acid octyl ester IUPAC Name: octyl 4-[2-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[(2-amino-2-keto-1-methylol-ethyl)amino]-2-keto-ethoxy]benzoic acid octyl ester Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6/c1-2-3-4-5-6-7-12-27-20(26)15-8-10-16(11-9-15)28-14-18(24)22-17(13-23)19(21)25/h8-11,17,23H,2-7,12-14H2,1H3,(H2,21,25)(H,22,24)