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

Systemtic Name: 2-[5-(3-cycloheptyl-4-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]ethanoic acid Openeye Name: 2-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]acetic acid CAS Name: 2-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenoxy]acetic acid IUPAC Name: 2-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenoxy]acetic acid Traditional Name: 2-[5-(3-cycloheptyl-4-keto-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenoxy]acetic acid Formula: C24H30N2O5 MolecularWeight: 426.5054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O5/c1-30-20-13-12-16(14-21(20)31-15-22(27)28)23-18-10-6-7-11-19(18)24(29)26(25-23)17-8-4-2-3-5-9-17/h6-7,12-14,17-19H,2-5,8-11,15H2,1H3,(H,27,28)