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

Systemtic Name: ethyl 1-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)-pyridin-2-yl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-(2-pyridyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-4-benzo[g]benzofuranyl)-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxycarbonyl-5-hydroxy-2-methylbenzo[g][1]benzofuran-4-yl)-pyridin-2-ylmethyl]piperidine-4-carboxylate Traditional Name: 1-[(3-carbethoxy-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-(2-pyridyl)methyl]isonipecotic acid ethyl ester Formula: C30H32N2O6 MolecularWeight: 516.58488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=N2)C3=C(C4=CC=CC=C4C5=C3C(=C(O5)C)C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(C2=CC=CC=N2)C3=C(C4=CC=CC=C4C5=C3C(=C(O5)C)C(=O)OCC)O

InChI

InChI=1S/C30H32N2O6/c1-4-36-29(34)19-13-16-32(17-14-19)26(22-12-8-9-15-31-22)25-24-23(30(35)37-5-2)18(3)38-28(24)21-11-7-6-10-20(21)27(25)33/h6-12,15,19,26,33H,4-5,13-14,16-17H2,1-3H3