methyl 8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-(1,2,3-triazol-2-yl)oct-4-ynoate

Systemtic Name: methyl 8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-(1,2,3-triazol-2-yl)oct-4-ynoate Openeye Name: methyl 8-(5-methyl-2-phenyl-oxazol-4-yl)-2-(triazol-2-yl)oct-4-ynoate CAS Name: 8-(5-methyl-2-phenyl-4-oxazolyl)-2-(2-triazolyl)-4-octynoic acid methyl ester IUPAC Name: methyl 8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-(triazol-2-yl)oct-4-ynoate Traditional Name: 8-(5-methyl-2-phenyl-oxazol-4-yl)-2-(triazol-2-yl)oct-4-ynoic acid methyl ester Formula: C21H22N4O3 MolecularWeight: 378.42438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)CCCC#CCC(C(=O)OC)N3N=CC=N3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)CCCC#CCC(C(=O)OC)N3N=CC=N3

InChI

InChI=1S/C21H22N4O3/c1-16-18(24-20(28-16)17-10-6-5-7-11-17)12-8-3-4-9-13-19(21(26)27-2)25-22-14-15-23-25/h5-7,10-11,14-15,19H,3,8,12-13H2,1-2H3