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

Systemtic Name: ethyl 1-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylate CAS Name: 1-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-4-benzo[g]benzofuranyl)-(4-methoxyphenyl)methyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-ethoxycarbonyl-5-hydroxy-2-methylbenzo[g][1]benzofuran-4-yl)-(4-methoxyphenyl)methyl]piperidine-4-carboxylate Traditional Name: 1-[(3-carbethoxy-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-(4-methoxyphenyl)methyl]isonipecotic acid ethyl ester Formula: C32H35NO7 MolecularWeight: 545.6228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H35NO7/c1-5-38-31(35)21-15-17-33(18-16-21)28(20-11-13-22(37-4)14-12-20)27-26-25(32(36)39-6-2)19(3)40-30(26)24-10-8-7-9-23(24)29(27)34/h7-14,21,28,34H,5-6,15-18H2,1-4H3