methyl 5-[4-(5-butyl-1,2,3-triazol-1-yl)phenyl]pent-4-ynoate

Systemtic Name: methyl 5-[4-(5-butyl-1,2,3-triazol-1-yl)phenyl]pent-4-ynoate Openeye Name: methyl 5-[4-(5-butyltriazol-1-yl)phenyl]pent-4-ynoate CAS Name: 5-[4-(5-butyl-1-triazolyl)phenyl]-4-pentynoic acid methyl ester IUPAC Name: methyl 5-[4-(5-butyltriazol-1-yl)phenyl]pent-4-ynoate Traditional Name: 5-[4-(5-butyltriazol-1-yl)phenyl]pent-4-ynoic acid methyl ester Formula: C18H21N3O2 MolecularWeight: 311.37824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN=NN1C2=CC=C(C=C2)C#CCCC(=O)OC

Isomeric SMILES

CCCCC1=CN=NN1C2=CC=C(C=C2)C#CCCC(=O)OC

InChI

InChI=1S/C18H21N3O2/c1-3-4-8-17-14-19-20-21(17)16-12-10-15(11-13-16)7-5-6-9-18(22)23-2/h10-14H,3-4,6,8-9H2,1-2H3