phenylmethoxymethylbenzene; 3-phenylmethoxypyrrolidine-1-carbonitrile

Systemtic Name: phenylmethoxymethylbenzene; 3-phenylmethoxypyrrolidine-1-carbonitrile Openeye Name: benzyloxymethylbenzene; 3-benzyloxypyrrolidine-1-carbonitrile CAS Name: phenylmethoxymethylbenzene; 3-phenylmethoxy-1-pyrrolidinecarbonitrile IUPAC Name: phenylmethoxymethylbenzene; 3-phenylmethoxypyrrolidine-1-carbonitrile Traditional Name: benzoxymethylbenzene; 3-benzoxypyrrolidine-1-carbonitrile Formula: C26H28N2O2 MolecularWeight: 400.51272

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1OCC2=CC=CC=C2)C#N.C1=CC=C(C=C1)COCC2=CC=CC=C2

Isomeric SMILES

C1CN(CC1OCC2=CC=CC=C2)C#N.C1=CC=C(C=C1)COCC2=CC=CC=C2

InChI

InChI=1S/C14H14O.C12H14N2O/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14;13-10-14-7-6-12(8-14)15-9-11-4-2-1-3-5-11/h1-10H,11-12H2;1-5,12H,6-9H2