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

Systemtic Name: 3-ethoxy-3-(1-oxidanylidenephthalazin-2-yl)-3-phenyl-2-(phenylmethyl)-2-(1H-pyrazol-4-yl)propanoic acid Openeye Name: 2-benzyl-3-ethoxy-3-(1-oxophthalazin-2-yl)-3-phenyl-2-(1H-pyrazol-4-yl)propanoic acid CAS Name: 3-ethoxy-3-(1-oxo-2-phthalazinyl)-3-phenyl-2-(phenylmethyl)-2-(1H-pyrazol-4-yl)propanoic acid IUPAC Name: 2-benzyl-3-ethoxy-3-(1-oxophthalazin-2-yl)-3-phenyl-2-(1H-pyrazol-4-yl)propanoic acid Traditional Name: 2-benzyl-3-ethoxy-3-(1-ketophthalazin-2-yl)-3-phenyl-2-(1H-pyrazol-4-yl)propionic acid Formula: C29H26N4O4 MolecularWeight: 494.54114

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)(C3=CNN=C3)C(=O)O)N4C(=O)C5=CC=CC=C5C=N4

Isomeric SMILES

CCOC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)(C3=CNN=C3)C(=O)O)N4C(=O)C5=CC=CC=C5C=N4

InChI

InChI=1S/C29H26N4O4/c1-2-37-29(23-14-7-4-8-15-23,33-26(34)25-16-10-9-13-22(25)18-32-33)28(27(35)36,24-19-30-31-20-24)17-21-11-5-3-6-12-21/h3-16,18-20H,2,17H2,1H3,(H,30,31)(H,35,36)