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

Systemtic Name: tert-butyl 4-[(4-chlorophenyl)-[4-(diethylcarbamoyl)phenyl]-oxidanyl-methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-chlorophenyl)-[4-(diethylcarbamoyl)phenyl]-hydroxy-methyl]piperidine-1-carboxylate CAS Name: 4-[(4-chlorophenyl)-[4-[diethylamino(oxo)methyl]phenyl]-hydroxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-chlorophenyl)-[4-(diethylcarbamoyl)phenyl]-hydroxymethyl]piperidine-1-carboxylate Traditional Name: 4-[(4-chlorophenyl)-[4-(diethylcarbamoyl)phenyl]-hydroxy-methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H37ClN2O4 MolecularWeight: 501.05738

Click to see the large picture

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=C(C=C3)Cl)O

Isomeric SMILES

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

InChI

InChI=1S/C28H37ClN2O4/c1-6-30(7-2)25(32)20-8-10-21(11-9-20)28(34,22-12-14-24(29)15-13-22)23-16-18-31(19-17-23)26(33)35-27(3,4)5/h8-15,23,34H,6-7,16-19H2,1-5H3