5-chloranyl-2-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzoxazole; ethanedioic acid

Systemtic Name: 5-chloranyl-2-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzoxazole; ethanedioic acid Openeye Name: 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole; oxalic acid CAS Name: 5-chloro-2-[1-(phenylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1,3-benzoxazole; oxalic acid IUPAC Name: 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole; oxalic acid Traditional Name: 2-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-5-chloro-1,3-benzoxazole; oxalic acid Formula: C21H19ClN2O5 MolecularWeight: 414.83896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)CC4=CC=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C19H17ClN2O.C2H2O4/c20-16-6-7-18-17(12-16)21-19(23-18)15-8-10-22(11-9-15)13-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-8,12H,9-11,13H2;(H,3,4)(H,5,6)