(2S)-2-[2-(4-butoxyphenyl)ethanoylamino]-N-(cyanomethyl)-3-cyclohexyl-propanamide

Systemtic Name: (2S)-2-[2-(4-butoxyphenyl)ethanoylamino]-N-(cyanomethyl)-3-cyclohexyl-propanamide Openeye Name: (2S)-2-[[2-(4-butoxyphenyl)acetyl]amino]-N-(cyanomethyl)-3-cyclohexyl-propanamide CAS Name: (2S)-2-[[2-(4-butoxyphenyl)-1-oxoethyl]amino]-N-(cyanomethyl)-3-cyclohexylpropanamide IUPAC Name: (2S)-2-[[2-(4-butoxyphenyl)acetyl]amino]-N-(cyanomethyl)-3-cyclohexylpropanamide Traditional Name: (2S)-2-[[2-(4-butoxyphenyl)acetyl]amino]-N-(cyanomethyl)-3-cyclohexyl-propionamide Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)CC(=O)NC(CC2CCCCC2)C(=O)NCC#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)CC(=O)N[C@@H](CC2CCCCC2)C(=O)NCC#N

InChI

InChI=1S/C23H33N3O3/c1-2-3-15-29-20-11-9-19(10-12-20)17-22(27)26-21(23(28)25-14-13-24)16-18-7-5-4-6-8-18/h9-12,18,21H,2-8,14-17H2,1H3,(H,25,28)(H,26,27)/t21-/m0/s1