N-ethylethanamine; 1-(1,2,4-triazol-1-yl)butan-2-yloxycarbonyloxymethyl 4-methylbenzoate

Systemtic Name: N-ethylethanamine; 1-(1,2,4-triazol-1-yl)butan-2-yloxycarbonyloxymethyl 4-methylbenzoate Openeye Name: N-ethylethanamine; 1-(1,2,4-triazol-1-ylmethyl)propoxycarbonyloxymethyl 4-methylbenzoate CAS Name: N-ethylethanamine; 4-methylbenzoic acid [oxo-[1-(1,2,4-triazol-1-yl)butan-2-yloxy]methoxy]methyl ester IUPAC Name: N-ethylethanamine; 1-(1,2,4-triazol-1-yl)butan-2-yloxycarbonyloxymethyl 4-methylbenzoate Traditional Name: diethylamine; 4-methylbenzoic acid 1-(1,2,4-triazol-1-ylmethyl)propoxycarbonyloxymethyl ester Formula: C20H30N4O5 MolecularWeight: 406.476

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CN1C=NC=N1)OC(=O)OCOC(=O)C2=CC=C(C=C2)C.CCNCC

Isomeric SMILES

CCC(CN1C=NC=N1)OC(=O)OCOC(=O)C2=CC=C(C=C2)C.CCNCC

InChI

InChI=1S/C16H19N3O5.C4H11N/c1-3-14(8-19-10-17-9-18-19)24-16(21)23-11-22-15(20)13-6-4-12(2)5-7-13;1-3-5-4-2/h4-7,9-10,14H,3,8,11H2,1-2H3;5H,3-4H2,1-2H3