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

Systemtic Name: ethyl 1-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)methyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)methyl]piperidine-3-carboxylate CAS Name: 1-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-4-benzo[g]benzofuranyl)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxycarbonyl-5-hydroxy-2-methylbenzo[g][1]benzofuran-4-yl)methyl]piperidine-3-carboxylate Traditional Name: 1-[(3-carbethoxy-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)methyl]nipecotic acid ethyl ester Formula: C25H29NO6 MolecularWeight: 439.50086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC2=C(C3=CC=CC=C3C4=C2C(=C(O4)C)C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC2=C(C3=CC=CC=C3C4=C2C(=C(O4)C)C(=O)OCC)O

InChI

InChI=1S/C25H29NO6/c1-4-30-24(28)16-9-8-12-26(13-16)14-19-21-20(25(29)31-5-2)15(3)32-23(21)18-11-7-6-10-17(18)22(19)27/h6-7,10-11,16,27H,4-5,8-9,12-14H2,1-3H3