4-[2,2-dimethyl-8-(4-methylphenoxy)-4-(1,2,4-triazol-1-yl)octan-3-yl]oxy-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2,2-dimethyl-8-(4-methylphenoxy)-4-(1,2,4-triazol-1-yl)octan-3-yl]oxy-4-oxidanylidene-butanoic acid Openeye Name: 4-[1-tert-butyl-6-(4-methylphenoxy)-2-(1,2,4-triazol-1-yl)hexoxy]-4-oxo-butanoic acid CAS Name: 4-[2,2-dimethyl-8-(4-methylphenoxy)-4-(1,2,4-triazol-1-yl)octan-3-yl]oxy-4-oxobutanoic acid IUPAC Name: 4-[2,2-dimethyl-8-(4-methylphenoxy)-4-(1,2,4-triazol-1-yl)octan-3-yl]oxy-4-oxobutanoic acid Traditional Name: 4-[1-tert-butyl-6-(4-methylphenoxy)-2-(1,2,4-triazol-1-yl)hexoxy]-4-keto-butyric acid Formula: C23H33N3O5 MolecularWeight: 431.52522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCCC(C(C(C)(C)C)OC(=O)CCC(=O)O)N2C=NC=N2

Isomeric SMILES

CC1=CC=C(C=C1)OCCCCC(C(C(C)(C)C)OC(=O)CCC(=O)O)N2C=NC=N2

InChI

InChI=1S/C23H33N3O5/c1-17-8-10-18(11-9-17)30-14-6-5-7-19(26-16-24-15-25-26)22(23(2,3)4)31-21(29)13-12-20(27)28/h8-11,15-16,19,22H,5-7,12-14H2,1-4H3,(H,27,28)