3-[2-[cyano(phenyl)carbamoyl]-4-phenoxy-phenyl]propanoic acid

Systemtic Name: 3-[2-[cyano(phenyl)carbamoyl]-4-phenoxy-phenyl]propanoic acid Openeye Name: 3-[2-[cyano(phenyl)carbamoyl]-4-phenoxy-phenyl]propanoic acid CAS Name: 3-[2-[(N-cyanoanilino)-oxomethyl]-4-phenoxyphenyl]propanoic acid IUPAC Name: 3-[2-[cyano(phenyl)carbamoyl]-4-phenoxyphenyl]propanoic acid Traditional Name: 3-[2-[cyano(phenyl)carbamoyl]-4-phenoxy-phenyl]propionic acid Formula: C23H18N2O4 MolecularWeight: 386.40002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C#N)C(=O)C2=C(C=CC(=C2)OC3=CC=CC=C3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N(C#N)C(=O)C2=C(C=CC(=C2)OC3=CC=CC=C3)CCC(=O)O

InChI

InChI=1S/C23H18N2O4/c24-16-25(18-7-3-1-4-8-18)23(28)21-15-20(29-19-9-5-2-6-10-19)13-11-17(21)12-14-22(26)27/h1-11,13,15H,12,14H2,(H,26,27)