tert-butyl 4-[3-(4-chloranylbutanoylamino)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(4-chloranylbutanoylamino)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(4-chlorobutanoylamino)phenyl]piperidine-1-carboxylate CAS Name: 4-[3-[(4-chloro-1-oxobutyl)amino]phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(4-chlorobutanoylamino)phenyl]piperidine-1-carboxylate Traditional Name: 4-[3-(4-chlorobutanoylamino)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29ClN2O3 MolecularWeight: 380.90886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC=C2)NC(=O)CCCCl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=CC=C2)NC(=O)CCCCl

InChI

InChI=1S/C20H29ClN2O3/c1-20(2,3)26-19(25)23-12-9-15(10-13-23)16-6-4-7-17(14-16)22-18(24)8-5-11-21/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,22,24)