[2-azanyl-5-(oxan-2-yloxymethyl)-4-(2-phenylethynyl)phenyl]carbamic acid

Systemtic Name: [2-azanyl-5-(oxan-2-yloxymethyl)-4-(2-phenylethynyl)phenyl]carbamic acid Openeye Name: [2-amino-4-(2-phenylethynyl)-5-(tetrahydropyran-2-yloxymethyl)phenyl]carbamic acid CAS Name: [2-amino-5-(2-oxanyloxymethyl)-4-(2-phenylethynyl)phenyl]carbamic acid IUPAC Name: [2-amino-5-(oxan-2-yloxymethyl)-4-(2-phenylethynyl)phenyl]carbamic acid Traditional Name: [2-amino-4-(2-phenylethynyl)-5-(tetrahydropyran-2-yloxymethyl)phenyl]carbamic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCOC(C1)OCC2=CC(=C(C=C2C#CC3=CC=CC=C3)N)NC(=O)O

Isomeric SMILES

C1CCOC(C1)OCC2=CC(=C(C=C2C#CC3=CC=CC=C3)N)NC(=O)O

InChI

InChI=1S/C21H22N2O4/c22-18-12-16(10-9-15-6-2-1-3-7-15)17(13-19(18)23-21(24)25)14-27-20-8-4-5-11-26-20/h1-3,6-7,12-13,20,23H,4-5,8,11,14,22H2,(H,24,25)