tert-butyl 3-[(2-chlorophenyl)carbonyl-cycloheptyl-amino]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 3-[(2-chlorophenyl)carbonyl-cycloheptyl-amino]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[(2-chlorobenzoyl)-cycloheptyl-amino]pyrrolidine-1-carboxylate CAS Name: 3-[[(2-chlorophenyl)-oxomethyl]-cycloheptylamino]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(2-chlorobenzoyl)-cycloheptylamino]pyrrolidine-1-carboxylate Traditional Name: 3-[(2-chlorobenzoyl)-cycloheptyl-amino]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H33ClN2O3 MolecularWeight: 420.97272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C1)N(C2CCCCCC2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C1)N(C2CCCCCC2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H33ClN2O3/c1-23(2,3)29-22(28)25-15-14-18(16-25)26(17-10-6-4-5-7-11-17)21(27)19-12-8-9-13-20(19)24/h8-9,12-13,17-18H,4-7,10-11,14-16H2,1-3H3