[6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethylamino]pyridin-3-yl] hydrogen carbonate

Systemtic Name: [6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethylamino]pyridin-3-yl] hydrogen carbonate Openeye Name: [6-[2-(2-benzyloxy-5-bromo-phenyl)ethylamino]-3-pyridyl] hydrogen carbonate CAS Name: carbonic acid [6-[2-(5-bromo-2-phenylmethoxyphenyl)ethylamino]-3-pyridinyl] ester IUPAC Name: [6-[2-(5-bromo-2-phenylmethoxyphenyl)ethylamino]pyridin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [6-[2-(2-benzoxy-5-bromo-phenyl)ethylamino]-3-pyridyl] ester Formula: C21H19BrN2O4 MolecularWeight: 443.29056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCNC3=NC=C(C=C3)OC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=C(C=C(C=C2)Br)CCNC3=NC=C(C=C3)OC(=O)O

InChI

InChI=1S/C21H19BrN2O4/c22-17-6-8-19(27-14-15-4-2-1-3-5-15)16(12-17)10-11-23-20-9-7-18(13-24-20)28-21(25)26/h1-9,12-13H,10-11,14H2,(H,23,24)(H,25,26)