ethyl (E)-3-(4-phenyl-1,2,3-triazol-1-yl)undec-3-enoate

Systemtic Name: ethyl (E)-3-(4-phenyl-1,2,3-triazol-1-yl)undec-3-enoate Openeye Name: ethyl (E)-3-(4-phenyltriazol-1-yl)undec-3-enoate CAS Name: (E)-3-(4-phenyl-1-triazolyl)-3-undecenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(4-phenyltriazol-1-yl)undec-3-enoate Traditional Name: (E)-3-(4-phenyltriazol-1-yl)undec-3-enoic acid ethyl ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC=C(CC(=O)OCC)N1C=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC/C=C(\CC(=O)OCC)/N1C=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C21H29N3O2/c1-3-5-6-7-8-12-15-19(16-21(25)26-4-2)24-17-20(22-23-24)18-13-10-9-11-14-18/h9-11,13-15,17H,3-8,12,16H2,1-2H3/b19-15+