2-(cyanoamino)-2-(1H-indol-3-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(cyanoamino)-2-(1H-indol-3-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propanoic acid Openeye Name: 3-tert-butoxy-2-(cyanoamino)-2-(1H-indol-3-ylmethyl)-3-oxo-propanoic acid CAS Name: 2-(cyanoamino)-2-(1H-indol-3-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid IUPAC Name: 2-(cyanoamino)-2-(1H-indol-3-ylmethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid Traditional Name: 3-tert-butoxy-2-(cyanoamino)-2-(1H-indol-3-ylmethyl)-3-keto-propionic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)(C(=O)O)NC#N

Isomeric SMILES

CC(C)(C)OC(=O)C(CC1=CNC2=CC=CC=C21)(C(=O)O)NC#N

InChI

InChI=1S/C17H19N3O4/c1-16(2,3)24-15(23)17(14(21)22,20-10-18)8-11-9-19-13-7-5-4-6-12(11)13/h4-7,9,19-20H,8H2,1-3H3,(H,21,22)