5-bromanyl-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyridine-3-carboxamide

Systemtic Name: 5-bromanyl-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyridine-3-carboxamide Openeye Name: 5-bromo-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]pyridine-3-carboxamide CAS Name: 5-bromo-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-3-pyridinecarboxamide IUPAC Name: 5-bromo-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyridine-3-carboxamide Traditional Name: 5-bromo-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]nicotinamide Formula: C18H19BrN2O3 MolecularWeight: 391.25906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H19BrN2O3/c1-3-23-16-6-12-4-11(2)24-17(12)7-13(16)9-21-18(22)14-5-15(19)10-20-8-14/h5-8,10-11H,3-4,9H2,1-2H3,(H,21,22)/t11-/m0/s1