2-[2-(5-bromanylnaphthalen-1-yl)-5-cyano-4-(naphthalen-1-ylmethyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(5-bromanylnaphthalen-1-yl)-5-cyano-4-(naphthalen-1-ylmethyl)-6-oxidanylidene-pyrimidin-1-yl]ethanoic acid Openeye Name: 2-[2-(5-bromo-1-naphthyl)-5-cyano-4-(1-naphthylmethyl)-6-oxo-pyrimidin-1-yl]acetic acid CAS Name: 2-[2-(5-bromo-1-naphthalenyl)-5-cyano-4-(1-naphthalenylmethyl)-6-oxo-1-pyrimidinyl]acetic acid IUPAC Name: 2-[2-(5-bromonaphthalen-1-yl)-5-cyano-4-(naphthalen-1-ylmethyl)-6-oxopyrimidin-1-yl]acetic acid Traditional Name: 2-[2-(5-bromo-1-naphthyl)-5-cyano-6-keto-4-(1-naphthylmethyl)pyrimidin-1-yl]acetic acid Formula: C28H18BrN3O3 MolecularWeight: 524.36482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=C(C(=O)N(C(=N3)C4=CC=CC5=C4C=CC=C5Br)CC(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=C(C(=O)N(C(=N3)C4=CC=CC5=C4C=CC=C5Br)CC(=O)O)C#N

InChI

InChI=1S/C28H18BrN3O3/c29-24-13-5-10-20-21(24)11-4-12-22(20)27-31-25(23(15-30)28(35)32(27)16-26(33)34)14-18-8-3-7-17-6-1-2-9-19(17)18/h1-13H,14,16H2,(H,33,34)