benzoic acid; 1-[4,4-bis(4-fluorophenyl)butyl]piperidine

Systemtic Name: benzoic acid; 1-[4,4-bis(4-fluorophenyl)butyl]piperidine Openeye Name: benzoic acid; 1-[4,4-bis(4-fluorophenyl)butyl]piperidine CAS Name: benzoic acid; 1-[4,4-bis(4-fluorophenyl)butyl]piperidine IUPAC Name: benzoic acid; 1-[4,4-bis(4-fluorophenyl)butyl]piperidine Traditional Name: benzoic acid; 1-[4,4-bis(4-fluorophenyl)butyl]piperidine Formula: C42H43F2NO6 MolecularWeight: 695.790726

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

C1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C21H25F2N.3C7H6O2/c22-19-10-6-17(7-11-19)21(18-8-12-20(23)13-9-18)5-4-16-24-14-2-1-3-15-24;3*8-7(9)6-4-2-1-3-5-6/h6-13,21H,1-5,14-16H2;3*1-5H,(H,8,9)