ethyl 2-methyl-5-oxidanyl-4-[piperidin-1-yl(pyridin-3-yl)methyl]benzo[g][1]benzofuran-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-oxidanyl-4-[piperidin-1-yl(pyridin-3-yl)methyl]benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[1-piperidyl(3-pyridyl)methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[1-piperidinyl(3-pyridinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[piperidin-1-yl(pyridin-3-yl)methyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[piperidino(3-pyridyl)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CN=CC=C4)N5CCCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CN=CC=C4)N5CCCCC5)C

InChI

InChI=1S/C27H28N2O4/c1-3-32-27(31)21-17(2)33-26-20-12-6-5-11-19(20)25(30)23(22(21)26)24(18-10-9-13-28-16-18)29-14-7-4-8-15-29/h5-6,9-13,16,24,30H,3-4,7-8,14-15H2,1-2H3