2-oxidanyl-4-[3-(2-propanoylphenoxy)propyl]-3-pyrrolidin-3-yloxy-benzenecarbonitrile

Systemtic Name: 2-oxidanyl-4-[3-(2-propanoylphenoxy)propyl]-3-pyrrolidin-3-yloxy-benzenecarbonitrile Openeye Name: 2-hydroxy-4-[3-(2-propanoylphenoxy)propyl]-3-pyrrolidin-3-yloxy-benzonitrile CAS Name: 2-hydroxy-4-[3-[2-(1-oxopropyl)phenoxy]propyl]-3-(3-pyrrolidinyloxy)benzonitrile IUPAC Name: 2-hydroxy-4-[3-(2-propanoylphenoxy)propyl]-3-pyrrolidin-3-yloxybenzonitrile Traditional Name: 2-hydroxy-4-[3-(2-propionylphenoxy)propyl]-3-pyrrolidin-3-yloxy-benzonitrile Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=CC=C1OCCCC2=C(C(=C(C=C2)C#N)O)OC3CCNC3

Isomeric SMILES

CCC(=O)C1=CC=CC=C1OCCCC2=C(C(=C(C=C2)C#N)O)OC3CCNC3

InChI

InChI=1S/C23H26N2O4/c1-2-20(26)19-7-3-4-8-21(19)28-13-5-6-16-9-10-17(14-24)22(27)23(16)29-18-11-12-25-15-18/h3-4,7-10,18,25,27H,2,5-6,11-13,15H2,1H3