[2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl] hydrogen carbonate

Systemtic Name: [2-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-ethyl-amino]pyridin-3-yl] hydrogen carbonate Openeye Name: [2-[(2-benzyloxy-5-bromo-phenyl)methyl-ethyl-amino]-3-pyridyl] hydrogen carbonate CAS Name: carbonic acid [2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-3-pyridinyl] ester IUPAC Name: [2-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[(2-benzoxy-5-bromo-benzyl)-ethyl-amino]-3-pyridyl] ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(C=CC=N3)OC(=O)O

Isomeric SMILES

CCN(CC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=C(C=CC=N3)OC(=O)O

InChI

InChI=1S/C22H21BrN2O4/c1-2-25(21-20(29-22(26)27)9-6-12-24-21)14-17-13-18(23)10-11-19(17)28-15-16-7-4-3-5-8-16/h3-13H,2,14-15H2,1H3,(H,26,27)