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

Systemtic Name: octyl 4-[2-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-2-oxidanylidene-ethoxy]benzoate Openeye Name: octyl 4-[2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethoxy]benzoic acid octyl ester IUPAC Name: octyl 4-[2-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[(2-amino-1-benzyl-2-keto-ethyl)amino]-2-keto-ethoxy]benzoic acid octyl ester Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCC(=O)NC(CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC=C(C=C1)OCC(=O)NC(CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C26H34N2O5/c1-2-3-4-5-6-10-17-32-26(31)21-13-15-22(16-14-21)33-19-24(29)28-23(25(27)30)18-20-11-8-7-9-12-20/h7-9,11-16,23H,2-6,10,17-19H2,1H3,(H2,27,30)(H,28,29)