2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-4-(4-phenylphenyl)butanoic acid

Systemtic Name: 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-4-(4-phenylphenyl)butanoic acid Openeye Name: 2-[2-(3-cyanoanilino)-2-oxo-ethyl]-4-oxo-4-(4-phenylphenyl)butanoic acid CAS Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]-4-oxo-4-(4-phenylphenyl)butanoic acid IUPAC Name: 2-[2-(3-cyanoanilino)-2-oxoethyl]-4-oxo-4-(4-phenylphenyl)butanoic acid Traditional Name: 2-[2-(3-cyanoanilino)-2-keto-ethyl]-4-keto-4-(4-phenylphenyl)butyric acid Formula: C25H20N2O4 MolecularWeight: 412.4373

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(CC(=O)NC3=CC=CC(=C3)C#N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CC(CC(=O)NC3=CC=CC(=C3)C#N)C(=O)O

InChI

InChI=1S/C25H20N2O4/c26-16-17-5-4-8-22(13-17)27-24(29)15-21(25(30)31)14-23(28)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-13,21H,14-15H2,(H,27,29)(H,30,31)