N-[(2S)-pentan-2-yl]-4-(2-phenylethynyl)benzamide

Systemtic Name: N-[(2S)-pentan-2-yl]-4-(2-phenylethynyl)benzamide Openeye Name: N-[(1S)-1-methylbutyl]-4-(2-phenylethynyl)benzamide CAS Name: N-[(2S)-pentan-2-yl]-4-(2-phenylethynyl)benzamide IUPAC Name: N-[(2S)-pentan-2-yl]-4-(2-phenylethynyl)benzamide Traditional Name: N-[(1S)-1-methylbutyl]-4-(2-phenylethynyl)benzamide Formula: C20H21NO MolecularWeight: 291.38684

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCC[C@H](C)NC(=O)C1=CC=C(C=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C20H21NO/c1-3-7-16(2)21-20(22)19-14-12-18(13-15-19)11-10-17-8-5-4-6-9-17/h4-6,8-9,12-16H,3,7H2,1-2H3,(H,21,22)/t16-/m0/s1