3-[4-(naphthalen-1-ylmethyl)-1-oxidanylidene-phthalazin-2-yl]propanoic acid

Systemtic Name: 3-[4-(naphthalen-1-ylmethyl)-1-oxidanylidene-phthalazin-2-yl]propanoic acid Openeye Name: 3-[4-(1-naphthylmethyl)-1-oxo-phthalazin-2-yl]propanoic acid CAS Name: 3-[4-(1-naphthalenylmethyl)-1-oxo-2-phthalazinyl]propanoic acid IUPAC Name: 3-[4-(naphthalen-1-ylmethyl)-1-oxophthalazin-2-yl]propanoic acid Traditional Name: 3-[1-keto-4-(1-naphthylmethyl)phthalazin-2-yl]propionic acid Formula: C22H18N2O3 MolecularWeight: 358.38992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CC3=NN(C(=O)C4=CC=CC=C43)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CC3=NN(C(=O)C4=CC=CC=C43)CCC(=O)O

InChI

InChI=1S/C22H18N2O3/c25-21(26)12-13-24-22(27)19-11-4-3-10-18(19)20(23-24)14-16-8-5-7-15-6-1-2-9-17(15)16/h1-11H,12-14H2,(H,25,26)