ethyl butanoate; ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate

Systemtic Name: ethyl butanoate; ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Openeye Name: ethyl butanoate; ethyl 4-(tert-butoxycarbonylamino)benzoate CAS Name: butanoic acid ethyl ester; 4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl butanoate; ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate Traditional Name: 4-(tert-butoxycarbonylamino)benzoic acid ethyl ester; butyric acid ethyl ester Formula: C20H31NO6 MolecularWeight: 381.46324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC.CCOC(=O)C1=CC=C(C=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCC(=O)OCC.CCOC(=O)C1=CC=C(C=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C14H19NO4.C6H12O2/c1-5-18-12(16)10-6-8-11(9-7-10)15-13(17)19-14(2,3)4;1-3-5-6(7)8-4-2/h6-9H,5H2,1-4H3,(H,15,17);3-5H2,1-2H3