3-ethoxy-3-(1-oxidanylidenephthalazin-2-yl)-2-(phenylmethyl)-2-(1H-pyrazol-4-yl)propanoic acid

Systemtic Name: 3-ethoxy-3-(1-oxidanylidenephthalazin-2-yl)-2-(phenylmethyl)-2-(1H-pyrazol-4-yl)propanoic acid Openeye Name: 2-benzyl-3-ethoxy-3-(1-oxophthalazin-2-yl)-2-(1H-pyrazol-4-yl)propanoic acid CAS Name: 3-ethoxy-3-(1-oxo-2-phthalazinyl)-2-(phenylmethyl)-2-(1H-pyrazol-4-yl)propanoic acid IUPAC Name: 2-benzyl-3-ethoxy-3-(1-oxophthalazin-2-yl)-2-(1H-pyrazol-4-yl)propanoic acid Traditional Name: 2-benzyl-3-ethoxy-3-(1-ketophthalazin-2-yl)-2-(1H-pyrazol-4-yl)propionic acid Formula: C23H22N4O4 MolecularWeight: 418.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(CC1=CC=CC=C1)(C2=CNN=C2)C(=O)O)N3C(=O)C4=CC=CC=C4C=N3

Isomeric SMILES

CCOC(C(CC1=CC=CC=C1)(C2=CNN=C2)C(=O)O)N3C(=O)C4=CC=CC=C4C=N3

InChI

InChI=1S/C23H22N4O4/c1-2-31-21(27-20(28)19-11-7-6-10-17(19)13-26-27)23(22(29)30,18-14-24-25-15-18)12-16-8-4-3-5-9-16/h3-11,13-15,21H,2,12H2,1H3,(H,24,25)(H,29,30)