4-[5-(3-cycloheptyl-4-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]butanoic acid

Systemtic Name: 4-[5-(3-cycloheptyl-4-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]butanoic acid Openeye Name: 4-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]butanoic acid CAS Name: 4-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenoxy]butanoic acid IUPAC Name: 4-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenoxy]butanoic acid Traditional Name: 4-[5-(3-cycloheptyl-4-keto-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]butyric acid Formula: C26H34N2O5 MolecularWeight: 454.55856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCC(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCCCCC4)OCCCC(=O)O

InChI

InChI=1S/C26H34N2O5/c1-32-22-15-14-18(17-23(22)33-16-8-13-24(29)30)25-20-11-6-7-12-21(20)26(31)28(27-25)19-9-4-2-3-5-10-19/h6-7,14-15,17,19-21H,2-5,8-13,16H2,1H3,(H,29,30)