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

Systemtic Name: 5-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentanoic acid Openeye Name: 5-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentanoic acid CAS Name: 5-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentanoic acid IUPAC Name: 5-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]pentanoic acid Traditional Name: 5-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]valeric acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O5/c1-27-17-11-10-14(13-18(17)28-2)20-15-7-3-4-8-16(15)21(26)23(22-20)12-6-5-9-19(24)25/h3-4,10-11,13,15-16H,5-9,12H2,1-2H3,(H,24,25)