N-[(2S)-2-ethylhexyl]-3-methyl-benzamide

Systemtic Name: N-[(2S)-2-ethylhexyl]-3-methyl-benzamide Openeye Name: N-[(2S)-2-ethylhexyl]-3-methyl-benzamide CAS Name: N-[(2S)-2-ethylhexyl]-3-methylbenzamide IUPAC Name: N-[(2S)-2-ethylhexyl]-3-methylbenzamide Traditional Name: N-[(2S)-2-ethylhexyl]-3-methyl-benzamide Formula: C16H25NO MolecularWeight: 247.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCC[C@H](CC)CNC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C16H25NO/c1-4-6-9-14(5-2)12-17-16(18)15-10-7-8-13(3)11-15/h7-8,10-11,14H,4-6,9,12H2,1-3H3,(H,17,18)/t14-/m0/s1