tert-butyl 4-[1-[4-[1-(4-iodophenyl)propylcarbamoyl]phenyl]ethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[4-[1-(4-iodophenyl)propylcarbamoyl]phenyl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[1-[4-[1-(4-iodophenyl)propylcarbamoyl]phenyl]ethyl]piperidine-1-carboxylate CAS Name: 4-[1-[4-[[1-(4-iodophenyl)propylamino]-oxomethyl]phenyl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[4-[1-(4-iodophenyl)propylcarbamoyl]phenyl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[1-[4-[1-(4-iodophenyl)propylcarbamoyl]phenyl]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H37IN2O3 MolecularWeight: 576.50945

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)I)NC(=O)C2=CC=C(C=C2)C(C)C3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C1=CC=C(C=C1)I)NC(=O)C2=CC=C(C=C2)C(C)C3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H37IN2O3/c1-6-25(22-11-13-24(29)14-12-22)30-26(32)23-9-7-20(8-10-23)19(2)21-15-17-31(18-16-21)27(33)34-28(3,4)5/h7-14,19,21,25H,6,15-18H2,1-5H3,(H,30,32)