4-[[4-(ethoxycarbonylamino)phenyl]-(3-fluorophenyl)methyl]piperidine-1-carboxylic acid

Systemtic Name: 4-[[4-(ethoxycarbonylamino)phenyl]-(3-fluorophenyl)methyl]piperidine-1-carboxylic acid Openeye Name: 4-[[4-(ethoxycarbonylamino)phenyl]-(3-fluorophenyl)methyl]piperidine-1-carboxylic acid CAS Name: 4-[[4-(ethoxycarbonylamino)phenyl]-(3-fluorophenyl)methyl]-1-piperidinecarboxylic acid IUPAC Name: 4-[[4-(ethoxycarbonylamino)phenyl]-(3-fluorophenyl)methyl]piperidine-1-carboxylic acid Traditional Name: 4-[[4-(carbethoxyamino)phenyl]-(3-fluorophenyl)methyl]piperidine-1-carboxylic acid Formula: C22H25FN2O4 MolecularWeight: 400.443303

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC=C(C=C1)C(C2CCN(CC2)C(=O)O)C3=CC(=CC=C3)F

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C(C2CCN(CC2)C(=O)O)C3=CC(=CC=C3)F

InChI

InChI=1S/C22H25FN2O4/c1-2-29-21(26)24-19-8-6-15(7-9-19)20(17-4-3-5-18(23)14-17)16-10-12-25(13-11-16)22(27)28/h3-9,14,16,20H,2,10-13H2,1H3,(H,24,26)(H,27,28)