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

Systemtic Name: 4-[4-(3,4-diethoxyphenyl)-1-oxidanylidene-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid CAS Name: 4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]-1-piperidinecarboxylic acid IUPAC Name: 4-[4-(3,4-diethoxyphenyl)-1-oxo-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(3,4-diethoxyphenyl)-1-keto-4a,5,8,8a-tetrahydrophthalazin-2-yl]piperidine-1-carboxylic acid Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN(C(=O)C3C2CC=CC3)C4CCN(CC4)C(=O)O)OCC

InChI

InChI=1S/C24H31N3O5/c1-3-31-20-10-9-16(15-21(20)32-4-2)22-18-7-5-6-8-19(18)23(28)27(25-22)17-11-13-26(14-12-17)24(29)30/h5-6,9-10,15,17-19H,3-4,7-8,11-14H2,1-2H3,(H,29,30)