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

Systemtic Name: [6-[2-(5-bromanyl-2-phenylmethoxy-phenyl)ethyl-methyl-amino]pyridin-3-yl] hydrogen carbonate Openeye Name: [6-[2-(2-benzyloxy-5-bromo-phenyl)ethyl-methyl-amino]-3-pyridyl] hydrogen carbonate CAS Name: carbonic acid [6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-methylamino]-3-pyridinyl] ester IUPAC Name: [6-[2-(5-bromo-2-phenylmethoxyphenyl)ethyl-methylamino]pyridin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [6-[2-(2-benzoxy-5-bromo-phenyl)ethyl-methyl-amino]-3-pyridyl] ester Formula: C22H21BrN2O4 MolecularWeight: 457.31714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21BrN2O4/c1-25(21-10-8-19(14-24-21)29-22(26)27)12-11-17-13-18(23)7-9-20(17)28-15-16-5-3-2-4-6-16/h2-10,13-14H,11-12,15H2,1H3,(H,26,27)