methyl 2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)ethanoate

Systemtic Name: methyl 2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)ethanoate Openeye Name: methyl 2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)acetate CAS Name: 2-benzamido-2-cyano-2-[(3-cyclohexyl-1-oxopropyl)amino]acetic acid methyl ester IUPAC Name: methyl 2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)acetate Traditional Name: 2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)acetic acid methyl ester Formula: C20H25N3O4 MolecularWeight: 371.4302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)(NC(=O)CCC1CCCCC1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(C#N)(NC(=O)CCC1CCCCC1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H25N3O4/c1-27-19(26)20(14-21,23-18(25)16-10-6-3-7-11-16)22-17(24)13-12-15-8-4-2-5-9-15/h3,6-7,10-11,15H,2,4-5,8-9,12-13H2,1H3,(H,22,24)(H,23,25)