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

Systemtic Name: ethyl 8-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-2-(1,2,3-triazol-2-yl)oct-4-ynoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC#CCCCC1=C(OC(=N1)C2=CC=CC=C2)C)N3N=CC=N3

Isomeric SMILES

CCOC(=O)C(CC#CCCCC1=C(OC(=N1)C2=CC=CC=C2)C)N3N=CC=N3

InChI

InChI=1S/C22H24N4O3/c1-3-28-22(27)20(26-23-15-16-24-26)14-10-5-4-9-13-19-17(2)29-21(25-19)18-11-7-6-8-12-18/h6-8,11-12,15-16,20H,3-4,9,13-14H2,1-2H3