ethyl 9-(4,5-diphenyl-1,2,3-triazol-2-yl)nonanoate

Systemtic Name: ethyl 9-(4,5-diphenyl-1,2,3-triazol-2-yl)nonanoate Openeye Name: ethyl 9-(4,5-diphenyltriazol-2-yl)nonanoate CAS Name: 9-(4,5-diphenyl-2-triazolyl)nonanoic acid ethyl ester IUPAC Name: ethyl 9-(4,5-diphenyltriazol-2-yl)nonanoate Traditional Name: 9-(4,5-diphenyltriazol-2-yl)pelargonic acid ethyl ester Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCCCN1N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCCCCN1N=C(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H31N3O2/c1-2-30-23(29)19-13-5-3-4-6-14-20-28-26-24(21-15-9-7-10-16-21)25(27-28)22-17-11-8-12-18-22/h7-12,15-18H,2-6,13-14,19-20H2,1H3