2-[4-(2-cyanophenyl)-3-(phenylmethyl)phenyl]-2-oxidanyl-ethanoate; methane

Systemtic Name: 2-[4-(2-cyanophenyl)-3-(phenylmethyl)phenyl]-2-oxidanyl-ethanoate; methane Openeye Name: 2-[3-benzyl-4-(2-cyanophenyl)phenyl]-2-hydroxy-acetate; methane CAS Name: 2-[4-(2-cyanophenyl)-3-(phenylmethyl)phenyl]-2-hydroxyacetate; methane IUPAC Name: 2-[3-benzyl-4-(2-cyanophenyl)phenyl]-2-hydroxyacetate; methane Traditional Name: 2-[3-benzyl-4-(2-cyanophenyl)phenyl]-2-hydroxy-acetate; methane Formula: C23H20NO3- MolecularWeight: 358.4098

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Descriptors Computed from Structure

Canonical SMILES:

C.C1=CC=C(C=C1)CC2=C(C=CC(=C2)C(C(=O)[O-])O)C3=CC=CC=C3C#N

Isomeric SMILES

C.C1=CC=C(C=C1)CC2=C(C=CC(=C2)C(C(=O)[O-])O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H17NO3.CH4/c23-14-17-8-4-5-9-19(17)20-11-10-16(21(24)22(25)26)13-18(20)12-15-6-2-1-3-7-15;/h1-11,13,21,24H,12H2,(H,25,26);1H4/p-1