tert-butyl N-[(2S)-1-[[(Z)-6-chloranylhex-5-en-3-ynyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[(Z)-6-chloranylhex-5-en-3-ynyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-[[(Z)-6-chlorohex-5-en-3-ynyl]amino]-2-oxo-ethyl]carbamate CAS Name: N-[(2S)-1-[[(Z)-6-chlorohex-5-en-3-ynyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[[(Z)-6-chlorohex-5-en-3-ynyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-[[(Z)-6-chlorohex-5-en-3-ynyl]amino]-2-keto-ethyl]carbamic acid tert-butyl ester Formula: C20H25ClN2O3 MolecularWeight: 376.8771

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NCCC#CC=CCl

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)NCCC#C/C=C\Cl

InChI

InChI=1S/C20H25ClN2O3/c1-20(2,3)26-19(25)23-17(15-16-11-7-6-8-12-16)18(24)22-14-10-5-4-9-13-21/h6-9,11-13,17H,10,14-15H2,1-3H3,(H,22,24)(H,23,25)/b13-9-/t17-/m0/s1