4-(4-bromophenyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-pyrrolidin-1-yl-benzenecarbonitrile

Systemtic Name: 4-(4-bromophenyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-pyrrolidin-1-yl-benzenecarbonitrile Openeye Name: 3-benzyloxy-2-(benzyloxymethyl)-4-(4-bromophenyl)-6-pyrrolidin-1-yl-benzonitrile CAS Name: 4-(4-bromophenyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-(1-pyrrolidinyl)benzonitrile IUPAC Name: 4-(4-bromophenyl)-3-phenylmethoxy-2-(phenylmethoxymethyl)-6-pyrrolidin-1-ylbenzonitrile Traditional Name: 3-benzoxy-2-(benzoxymethyl)-4-(4-bromophenyl)-6-pyrrolidino-benzonitrile Formula: C32H29BrN2O2 MolecularWeight: 553.48886

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=C(C(=C2)C3=CC=C(C=C3)Br)OCC4=CC=CC=C4)COCC5=CC=CC=C5)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C(=C(C(=C2)C3=CC=C(C=C3)Br)OCC4=CC=CC=C4)COCC5=CC=CC=C5)C#N

InChI

InChI=1S/C32H29BrN2O2/c33-27-15-13-26(14-16-27)28-19-31(35-17-7-8-18-35)29(20-34)30(23-36-21-24-9-3-1-4-10-24)32(28)37-22-25-11-5-2-6-12-25/h1-6,9-16,19H,7-8,17-18,21-23H2