2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)ethanoic acid

Systemtic Name: 2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)ethanoic acid Openeye Name: 2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)acetic acid CAS Name: 2-benzamido-2-cyano-2-[(3-cyclohexyl-1-oxopropyl)amino]acetic acid IUPAC Name: 2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)acetic acid Traditional Name: 2-benzamido-2-cyano-2-(3-cyclohexylpropanoylamino)acetic acid Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC(=O)NC(C#N)(C(=O)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

C1CCC(CC1)CCC(=O)NC(C#N)(C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H23N3O4/c20-13-19(18(25)26,22-17(24)15-9-5-2-6-10-15)21-16(23)12-11-14-7-3-1-4-8-14/h2,5-6,9-10,14H,1,3-4,7-8,11-12H2,(H,21,23)(H,22,24)(H,25,26)