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

Systemtic Name: 5-[5-(3-cycloheptyl-4-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]pentanoic acid Openeye Name: 5-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]pentanoic acid CAS Name: 5-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenoxy]pentanoic acid IUPAC Name: 5-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenoxy]pentanoic acid Traditional Name: 5-[5-(3-cycloheptyl-4-keto-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]valeric acid Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O5/c1-33-23-16-15-19(18-24(23)34-17-9-8-14-25(30)31)26-21-12-6-7-13-22(21)27(32)29(28-26)20-10-4-2-3-5-11-20/h6-7,15-16,18,20-22H,2-5,8-14,17H2,1H3,(H,30,31)