[5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl-[(E)-oct-2-enoyl]amino] benzoate

Systemtic Name: [5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl-[(E)-oct-2-enoyl]amino] benzoate Openeye Name: [5-(tert-butoxycarbonylamino)pentyl-[(E)-oct-2-enoyl]amino] benzoate CAS Name: benzoic acid [5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentyl-[(E)-1-oxooct-2-enyl]amino] ester IUPAC Name: [5-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl-[(E)-oct-2-enoyl]amino] benzoate Traditional Name: benzoic acid [5-(tert-butoxycarbonylamino)pentyl-[(E)-oct-2-enoyl]amino] ester Formula: C25H38N2O5 MolecularWeight: 446.57962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O5/c1-5-6-7-8-13-18-22(28)27(32-23(29)21-16-11-9-12-17-21)20-15-10-14-19-26-24(30)31-25(2,3)4/h9,11-13,16-18H,5-8,10,14-15,19-20H2,1-4H3,(H,26,30)/b18-13+