2-cyano-3-naphthalen-1-yl-3-phenanthren-4-yl-propanoic acid

Systemtic Name: 2-cyano-3-naphthalen-1-yl-3-phenanthren-4-yl-propanoic acid Openeye Name: 2-cyano-3-(1-naphthyl)-3-(4-phenanthryl)propanoic acid CAS Name: 2-cyano-3-(1-naphthalenyl)-3-(4-phenanthrenyl)propanoic acid IUPAC Name: 2-cyano-3-naphthalen-1-yl-3-phenanthren-4-ylpropanoic acid Traditional Name: 2-cyano-3-(1-naphthyl)-3-(4-phenanthryl)propionic acid Formula: C28H19NO2 MolecularWeight: 401.45596

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=C3C5=CC=CC=C5C=C4)C(C#N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(C3=CC=CC4=C3C5=CC=CC=C5C=C4)C(C#N)C(=O)O

InChI

InChI=1S/C28H19NO2/c29-17-25(28(30)31)27(23-13-5-9-18-7-1-3-11-21(18)23)24-14-6-10-20-16-15-19-8-2-4-12-22(19)26(20)24/h1-16,25,27H,(H,30,31)