tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(3-fluorophenyl)-oxidanyl-methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(3-fluorophenyl)-oxidanyl-methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(3-fluorophenyl)-hydroxy-methyl]piperidine-1-carboxylate CAS Name: 4-[[4-[diethylamino(oxo)methyl]phenyl]-(3-fluorophenyl)-hydroxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(diethylcarbamoyl)phenyl]-(3-fluorophenyl)-hydroxymethyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(diethylcarbamoyl)phenyl]-(3-fluorophenyl)-hydroxy-methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H37FN2O4 MolecularWeight: 484.602783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2CCN(CC2)C(=O)OC(C)(C)C)(C3=CC(=CC=C3)F)O

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)C(C2CCN(CC2)C(=O)OC(C)(C)C)(C3=CC(=CC=C3)F)O

InChI

InChI=1S/C28H37FN2O4/c1-6-30(7-2)25(32)20-11-13-21(14-12-20)28(34,23-9-8-10-24(29)19-23)22-15-17-31(18-16-22)26(33)35-27(3,4)5/h8-14,19,22,34H,6-7,15-18H2,1-5H3