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

Systemtic Name: 5-[5-(3-cycloheptyl-4-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenyl]pentanoic acid Openeye Name: 5-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenyl]pentanoic acid CAS Name: 5-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenyl]pentanoic acid IUPAC Name: 5-[5-(3-cycloheptyl-4-oxo-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxyphenyl]pentanoic acid Traditional Name: 5-[5-(3-cycloheptyl-4-keto-4a,5,8,8a-tetrahydrophthalazin-1-yl)-2-methoxy-phenyl]valeric acid Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-33-24-17-16-20(18-19(24)10-6-9-15-25(30)31)26-22-13-7-8-14-23(22)27(32)29(28-26)21-11-4-2-3-5-12-21/h7-8,16-18,21-23H,2-6,9-15H2,1H3,(H,30,31)