3-[bis(4-fluorophenyl)methyl]-2-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid

Systemtic Name: 3-[bis(4-fluorophenyl)methyl]-2-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[bis(4-fluorophenyl)methyl]piperidine-1-carboxylic acid CAS Name: 3-[bis(4-fluorophenyl)methyl]-2-(phenylmethoxycarbonylamino)-1-piperidinecarboxylic acid IUPAC Name: 3-[bis(4-fluorophenyl)methyl]-2-(phenylmethoxycarbonylamino)piperidine-1-carboxylic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[bis(4-fluorophenyl)methyl]piperidine-1-carboxylic acid Formula: C27H26F2N2O4 MolecularWeight: 480.503146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)O)NC(=O)OCC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC(C(N(C1)C(=O)O)NC(=O)OCC2=CC=CC=C2)C(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

InChI

InChI=1S/C27H26F2N2O4/c28-21-12-8-19(9-13-21)24(20-10-14-22(29)15-11-20)23-7-4-16-31(27(33)34)25(23)30-26(32)35-17-18-5-2-1-3-6-18/h1-3,5-6,8-15,23-25H,4,7,16-17H2,(H,30,32)(H,33,34)