3-[4-(ethoxycarbonylamino)phenyl]-2-(3-fluorophenyl)-2-methyl-piperidine-1-carboxylic acid

Systemtic Name: 3-[4-(ethoxycarbonylamino)phenyl]-2-(3-fluorophenyl)-2-methyl-piperidine-1-carboxylic acid Openeye Name: 3-[4-(ethoxycarbonylamino)phenyl]-2-(3-fluorophenyl)-2-methyl-piperidine-1-carboxylic acid CAS Name: 3-[4-(ethoxycarbonylamino)phenyl]-2-(3-fluorophenyl)-2-methyl-1-piperidinecarboxylic acid IUPAC Name: 3-[4-(ethoxycarbonylamino)phenyl]-2-(3-fluorophenyl)-2-methylpiperidine-1-carboxylic acid Traditional Name: 3-[4-(carbethoxyamino)phenyl]-2-(3-fluorophenyl)-2-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)C2CCCN(C2(C)C3=CC(=CC=C3)F)C(=O)O

Isomeric SMILES

CCOC(=O)NC1=CC=C(C=C1)C2CCCN(C2(C)C3=CC(=CC=C3)F)C(=O)O

InChI

InChI=1S/C22H25FN2O4/c1-3-29-20(26)24-18-11-9-15(10-12-18)19-8-5-13-25(21(27)28)22(19,2)16-6-4-7-17(23)14-16/h4,6-7,9-12,14,19H,3,5,8,13H2,1-2H3,(H,24,26)(H,27,28)