methyl 8-oxidanylidene-8-[[3-(4-phenyl-1,2,3-triazol-1-yl)phenyl]amino]octanoate

Systemtic Name: methyl 8-oxidanylidene-8-[[3-(4-phenyl-1,2,3-triazol-1-yl)phenyl]amino]octanoate Openeye Name: methyl 8-oxo-8-[3-(4-phenyltriazol-1-yl)anilino]octanoate CAS Name: 8-oxo-8-[3-(4-phenyl-1-triazolyl)anilino]octanoic acid methyl ester IUPAC Name: methyl 8-oxo-8-[3-(4-phenyltriazol-1-yl)anilino]octanoate Traditional Name: 8-keto-8-[3-(4-phenyltriazol-1-yl)anilino]caprylic acid methyl ester Formula: C23H26N4O3 MolecularWeight: 406.47754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(=O)NC1=CC=CC(=C1)N2C=C(N=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCCCCC(=O)NC1=CC=CC(=C1)N2C=C(N=N2)C3=CC=CC=C3

InChI

InChI=1S/C23H26N4O3/c1-30-23(29)15-8-3-2-7-14-22(28)24-19-12-9-13-20(16-19)27-17-21(25-26-27)18-10-5-4-6-11-18/h4-6,9-13,16-17H,2-3,7-8,14-15H2,1H3,(H,24,28)