tert-butyl N-[1-[(3-chlorophenyl)amino]hex-4-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-[(3-chlorophenyl)amino]hex-4-yn-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(3-chloroanilino)methyl]pent-3-ynyl]carbamate CAS Name: N-[1-(3-chloroanilino)hex-4-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(3-chloroanilino)hex-4-yn-2-yl]carbamate Traditional Name: N-[1-[(3-chloroanilino)methyl]pent-3-ynyl]carbamic acid tert-butyl ester Formula: C17H23ClN2O2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC(CNC1=CC(=CC=C1)Cl)NC(=O)OC(C)(C)C

Isomeric SMILES

CC#CCC(CNC1=CC(=CC=C1)Cl)NC(=O)OC(C)(C)C

InChI

InChI=1S/C17H23ClN2O2/c1-5-6-9-15(20-16(21)22-17(2,3)4)12-19-14-10-7-8-13(18)11-14/h7-8,10-11,15,19H,9,12H2,1-4H3,(H,20,21)