tert-butyl N-[(2S)-3-oxidanylidene-1-phenyl-tetradec-4-yn-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-oxidanylidene-1-phenyl-tetradec-4-yn-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-benzyl-2-oxo-tridec-3-ynyl]carbamate CAS Name: N-[(2S)-3-oxo-1-phenyltetradec-4-yn-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-oxo-1-phenyltetradec-4-yn-2-yl]carbamate Traditional Name: N-[(1S)-1-benzyl-2-keto-tridec-3-ynyl]carbamic acid tert-butyl ester Formula: C25H37NO3 MolecularWeight: 399.56618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC#CC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCC#CC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H37NO3/c1-5-6-7-8-9-10-11-12-16-19-23(27)22(20-21-17-14-13-15-18-21)26-24(28)29-25(2,3)4/h13-15,17-18,22H,5-12,20H2,1-4H3,(H,26,28)/t22-/m0/s1