(2R)-4-[(2-cyanophenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid

Systemtic Name: (2R)-4-[(2-cyanophenyl)amino]-2-(hexylamino)-4-oxidanylidene-butanoic acid Openeye Name: (2R)-4-(2-cyanoanilino)-2-(hexylamino)-4-oxo-butanoic acid CAS Name: (2R)-4-(2-cyanoanilino)-2-(hexylamino)-4-oxobutanoic acid IUPAC Name: (2R)-4-(2-cyanoanilino)-2-(hexylamino)-4-oxobutanoic acid Traditional Name: (2R)-4-(2-cyanoanilino)-2-(hexylamino)-4-keto-butyric acid Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(CC(=O)NC1=CC=CC=C1C#N)C(=O)O

Isomeric SMILES

CCCCCCN[C@H](CC(=O)NC1=CC=CC=C1C#N)C(=O)O

InChI

InChI=1S/C17H23N3O3/c1-2-3-4-7-10-19-15(17(22)23)11-16(21)20-14-9-6-5-8-13(14)12-18/h5-6,8-9,15,19H,2-4,7,10-11H2,1H3,(H,20,21)(H,22,23)/t15-/m1/s1