[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-[(E)-oct-2-enoyl]amino] benzoate

Systemtic Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-[(E)-oct-2-enoyl]amino] benzoate Openeye Name: [3-(tert-butoxycarbonylamino)propyl-[(E)-oct-2-enoyl]amino] benzoate CAS Name: benzoic acid [3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl-[(E)-1-oxooct-2-enyl]amino] ester IUPAC Name: [3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl-[(E)-oct-2-enoyl]amino] benzoate Traditional Name: benzoic acid [3-(tert-butoxycarbonylamino)propyl-[(E)-oct-2-enoyl]amino] ester Formula: C23H34N2O5 MolecularWeight: 418.52646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O5/c1-5-6-7-8-12-16-20(26)25(30-21(27)19-14-10-9-11-15-19)18-13-17-24-22(28)29-23(2,3)4/h9-12,14-16H,5-8,13,17-18H2,1-4H3,(H,24,28)/b16-12+