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

Systemtic Name: 4-[5-(3-cycloheptyl-4-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenyl]butanoic acid Openeye Name: 4-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenyl]butanoic acid CAS Name: 4-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenyl]butanoic acid IUPAC Name: 4-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenyl]butanoic acid Traditional Name: 4-[5-(3-cycloheptyl-4-keto-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenyl]butyric acid Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-32-23-16-15-19(17-18(23)9-8-14-24(29)30)25-21-12-6-7-13-22(21)26(31)28(27-25)20-10-4-2-3-5-11-20/h6-7,15-17,20-22H,2-5,8-14H2,1H3,(H,29,30)