3-[(4-cyanophenyl)carbonyl-prop-2-ynyl-amino]-2,2-dimethyl-heptanoic acid

Systemtic Name: 3-[(4-cyanophenyl)carbonyl-prop-2-ynyl-amino]-2,2-dimethyl-heptanoic acid Openeye Name: 3-[(4-cyanobenzoyl)-prop-2-ynyl-amino]-2,2-dimethyl-heptanoic acid CAS Name: 3-[[(4-cyanophenyl)-oxomethyl]-prop-2-ynylamino]-2,2-dimethylheptanoic acid IUPAC Name: 3-[(4-cyanobenzoyl)-prop-2-ynylamino]-2,2-dimethylheptanoic acid Traditional Name: 3-[(4-cyanobenzoyl)-propargyl-amino]-2,2-dimethyl-enanthic acid Formula: C20H24N2O3 MolecularWeight: 340.41616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C(=O)O)N(CC#C)C(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCC(C(C)(C)C(=O)O)N(CC#C)C(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C20H24N2O3/c1-5-7-8-17(20(3,4)19(24)25)22(13-6-2)18(23)16-11-9-15(14-21)10-12-16/h2,9-12,17H,5,7-8,13H2,1,3-4H3,(H,24,25)