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

Systemtic Name: methyl 9-(5-oxidanylidene-3,4-diphenyl-1,2,4-triazol-1-yl)nonanoate Openeye Name: methyl 9-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)nonanoate CAS Name: 9-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)nonanoic acid methyl ester IUPAC Name: methyl 9-(5-oxo-3,4-diphenyl-1,2,4-triazol-1-yl)nonanoate Traditional Name: 9-(5-keto-3,4-diphenyl-1,2,4-triazol-1-yl)pelargonic acid methyl ester Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCCCN1C(=O)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCCCN1C(=O)N(C(=N1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H29N3O3/c1-30-22(28)18-12-4-2-3-5-13-19-26-24(29)27(21-16-10-7-11-17-21)23(25-26)20-14-8-6-9-15-20/h6-11,14-17H,2-5,12-13,18-19H2,1H3