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

Systemtic Name: methyl 8-[[3-(4-cyclohexyl-1,2,3-triazol-1-yl)phenyl]amino]-8-oxidanylidene-octanoate Openeye Name: methyl 8-[3-(4-cyclohexyltriazol-1-yl)anilino]-8-oxo-octanoate CAS Name: 8-[3-(4-cyclohexyl-1-triazolyl)anilino]-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-[3-(4-cyclohexyltriazol-1-yl)anilino]-8-oxooctanoate Traditional Name: 8-[3-(4-cyclohexyltriazol-1-yl)anilino]-8-keto-caprylic acid methyl ester Formula: C23H32N4O3 MolecularWeight: 412.52518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(=O)NC1=CC=CC(=C1)N2C=C(N=N2)C3CCCCC3

Isomeric SMILES

COC(=O)CCCCCCC(=O)NC1=CC=CC(=C1)N2C=C(N=N2)C3CCCCC3

InChI

InChI=1S/C23H32N4O3/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/h9,12-13,16-18H,2-8,10-11,14-15H2,1H3,(H,24,28)