4-(2-cyano-5-phenylmethoxy-phenoxy)-4-phenyl-butanoate

Systemtic Name: 4-(2-cyano-5-phenylmethoxy-phenoxy)-4-phenyl-butanoate Openeye Name: 4-(5-benzyloxy-2-cyano-phenoxy)-4-phenyl-butanoate CAS Name: 4-(2-cyano-5-phenylmethoxyphenoxy)-4-phenylbutanoate IUPAC Name: 4-(2-cyano-5-phenylmethoxyphenoxy)-4-phenylbutanoate Traditional Name: 4-(5-benzoxy-2-cyano-phenoxy)-4-phenyl-butyrate Formula: C24H20NO4- MolecularWeight: 386.4199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=C(C=C2)C#N)OC(CCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=C(C=C2)C#N)OC(CCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C24H21NO4/c25-16-20-11-12-21(28-17-18-7-3-1-4-8-18)15-23(20)29-22(13-14-24(26)27)19-9-5-2-6-10-19/h1-12,15,22H,13-14,17H2,(H,26,27)/p-1