[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl-[(E)-oct-2-enoyl]amino] benzoate

Systemtic Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl-[(E)-oct-2-enoyl]amino] benzoate Openeye Name: [6-(tert-butoxycarbonylamino)hexyl-[(E)-oct-2-enoyl]amino] benzoate CAS Name: benzoic acid [6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexyl-[(E)-1-oxooct-2-enyl]amino] ester IUPAC Name: [6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl-[(E)-oct-2-enoyl]amino] benzoate Traditional Name: benzoic acid [6-(tert-butoxycarbonylamino)hexyl-[(E)-oct-2-enoyl]amino] ester Formula: C26H40N2O5 MolecularWeight: 460.6062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(=O)N(CCCCCCNC(=O)OC(C)(C)C)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCC/C=C/C(=O)N(CCCCCCNC(=O)OC(C)(C)C)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C26H40N2O5/c1-5-6-7-8-14-19-23(29)28(33-24(30)22-17-12-11-13-18-22)21-16-10-9-15-20-27-25(31)32-26(2,3)4/h11-14,17-19H,5-10,15-16,20-21H2,1-4H3,(H,27,31)/b19-14+