7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Systemtic Name: 7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Openeye Name: 7-[2-(2-phenyloxazol-4-yl)ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid CAS Name: 7-[2-(2-phenyl-4-oxazolyl)ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid IUPAC Name: 7-[2-(2-phenyl-1,3-oxazol-4-yl)ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Traditional Name: 7-[2-(2-phenyloxazol-4-yl)ethoxy]-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid Formula: C21H20N2O4 MolecularWeight: 364.3945

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(NCC2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1C(NCC2=C1C=CC(=C2)OCCC3=COC(=N3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H20N2O4/c24-21(25)19-11-15-6-7-18(10-16(15)12-22-19)26-9-8-17-13-27-20(23-17)14-4-2-1-3-5-14/h1-7,10,13,19,22H,8-9,11-12H2,(H,24,25)