2-[4-azanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-phenylethynyl)phenoxy]ethanoic acid

Systemtic Name: 2-[4-azanyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-phenylethynyl)phenoxy]ethanoic acid Openeye Name: 2-[4-amino-5-(tert-butoxycarbonylamino)-2-(2-phenylethynyl)phenoxy]acetic acid CAS Name: 2-[4-amino-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-(2-phenylethynyl)phenoxy]acetic acid IUPAC Name: 2-[4-amino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(2-phenylethynyl)phenoxy]acetic acid Traditional Name: 2-[4-amino-5-(tert-butoxycarbonylamino)-2-(2-phenylethynyl)phenoxy]acetic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)OCC(=O)O)C#CC2=CC=CC=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=C(C(=C1)OCC(=O)O)C#CC2=CC=CC=C2)N

InChI

InChI=1S/C21H22N2O5/c1-21(2,3)28-20(26)23-17-12-18(27-13-19(24)25)15(11-16(17)22)10-9-14-7-5-4-6-8-14/h4-8,11-12H,13,22H2,1-3H3,(H,23,26)(H,24,25)