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

Systemtic Name: ethyl 1-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)-phenyl-methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-phenyl-methyl]piperidine-4-carboxylate CAS Name: 1-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-4-benzo[g]benzofuranyl)-phenylmethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxycarbonyl-5-hydroxy-2-methylbenzo[g][1]benzofuran-4-yl)-phenylmethyl]piperidine-4-carboxylate Traditional Name: 1-[(3-carbethoxy-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-phenyl-methyl]isonipecotic acid ethyl ester Formula: C31H33NO6 MolecularWeight: 515.59682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H33NO6/c1-4-36-30(34)21-15-17-32(18-16-21)27(20-11-7-6-8-12-20)26-25-24(31(35)37-5-2)19(3)38-29(25)23-14-10-9-13-22(23)28(26)33/h6-14,21,27,33H,4-5,15-18H2,1-3H3