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

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

Systemtic Name:4-[4-(3,4-dimethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid
Openeye Name:4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid
CAS Name:4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-1-piperidinecarboxylic acid
IUPAC Name:4-[4-(3,4-dimethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid
Traditional Name:4-[4-(3,4-dimethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid
Formula: C22H27N3O5
MolecularWeight: 413.46688
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)O)OC


Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)O)OC


InChI

InChI=1S/C22H27N3O5/c1-29-18-8-7-14(13-19(18)30-2)20-16-5-3-4-6-17(16)21(26)25(23-20)15-9-11-24(12-10-15)22(27)28/h3-4,7-8,13,15-17H,5-6,9-12H2,1-2H3,(H,27,28)


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