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

Systemtic Name: [6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-ethyl-amino]pyridin-3-yl] hydrogen carbonate Openeye Name: [6-[2-(2-benzyloxy-5-bromo-phenyl)ethyl-ethyl-amino]-3-pyridyl] hydrogen carbonate CAS Name: carbonic acid [6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]-3-pyridinyl] ester IUPAC Name: [6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-ethylamino]pyridin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [6-[2-(2-benzoxy-5-bromo-phenyl)ethyl-ethyl-amino]-3-pyridyl] ester Formula: C23H23BrN2O4 MolecularWeight: 471.34372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)OC(=O)O

Isomeric SMILES

CCN(CCC1=C(C=CC(=C1)Br)OCC2=CC=CC=C2)C3=NC=C(C=C3)OC(=O)O

InChI

InChI=1S/C23H23BrN2O4/c1-2-26(22-11-9-20(15-25-22)30-23(27)28)13-12-18-14-19(24)8-10-21(18)29-16-17-6-4-3-5-7-17/h3-11,14-15H,2,12-13,16H2,1H3,(H,27,28)