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

Systemtic Name: [6-[(5-bromanyl-2-phenylmethoxy-phenyl)methyl-prop-2-enyl-amino]pyridin-3-yl] hydrogen carbonate Openeye Name: [6-[allyl-[(2-benzyloxy-5-bromo-phenyl)methyl]amino]-3-pyridyl] hydrogen carbonate CAS Name: carbonic acid [6-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-enylamino]-3-pyridinyl] ester IUPAC Name: [6-[(5-bromo-2-phenylmethoxyphenyl)methyl-prop-2-enylamino]pyridin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [6-[allyl-(2-benzoxy-5-bromo-benzyl)amino]-3-pyridyl] ester Formula: C23H21BrN2O4 MolecularWeight: 469.32784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrN2O4/c1-2-12-26(22-11-9-20(14-25-22)30-23(27)28)15-18-13-19(24)8-10-21(18)29-16-17-6-4-3-5-7-17/h2-11,13-14H,1,12,15-16H2,(H,27,28)