tert-butyl 2-[[3-(3-ethoxyphenyl)-4-propyl-2H-1,2,3-triazol-1-yl]oxy]butanoate

Systemtic Name: tert-butyl 2-[[3-(3-ethoxyphenyl)-4-propyl-2H-1,2,3-triazol-1-yl]oxy]butanoate Openeye Name: tert-butyl 2-[[3-(3-ethoxyphenyl)-4-propyl-2H-triazol-1-yl]oxy]butanoate CAS Name: 2-[[3-(3-ethoxyphenyl)-4-propyl-2H-triazol-1-yl]oxy]butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[3-(3-ethoxyphenyl)-4-propyl-2H-triazol-1-yl]oxy]butanoate Traditional Name: 2-[(3-m-phenetyl-4-propyl-2H-triazol-1-yl)oxy]butyric acid tert-butyl ester Formula: C21H33N3O4 MolecularWeight: 391.50442

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(NN1C2=CC(=CC=C2)OCC)OC(CC)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC1=CN(NN1C2=CC(=CC=C2)OCC)OC(CC)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H33N3O4/c1-7-11-17-15-23(28-19(8-2)20(25)27-21(4,5)6)22-24(17)16-12-10-13-18(14-16)26-9-3/h10,12-15,19,22H,7-9,11H2,1-6H3