octyl 4-[[4-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]phenyl]methoxy]benzoate

Systemtic Name: octyl 4-[[4-[(1-azanyl-3-oxidanyl-1-oxidanylidene-propan-2-yl)carbamoyl]phenyl]methoxy]benzoate Openeye Name: octyl 4-[[4-[[2-amino-1-(hydroxymethyl)-2-oxo-ethyl]carbamoyl]phenyl]methoxy]benzoate CAS Name: 4-[[4-[[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-oxomethyl]phenyl]methoxy]benzoic acid octyl ester IUPAC Name: octyl 4-[[4-[(1-amino-3-hydroxy-1-oxopropan-2-yl)carbamoyl]phenyl]methoxy]benzoate Traditional Name: 4-[4-[(2-amino-2-keto-1-methylol-ethyl)carbamoyl]benzyl]oxybenzoic acid octyl ester Formula: C26H34N2O6 MolecularWeight: 470.55796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC(CO)C(=O)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC(CO)C(=O)N

InChI

InChI=1S/C26H34N2O6/c1-2-3-4-5-6-7-16-33-26(32)21-12-14-22(15-13-21)34-18-19-8-10-20(11-9-19)25(31)28-23(17-29)24(27)30/h8-15,23,29H,2-7,16-18H2,1H3,(H2,27,30)(H,28,31)