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

Systemtic Name: ethyl 4-[(3-ethoxycarbonyl-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-4-yl)-pyridin-4-yl-methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-(4-pyridyl)methyl]piperazine-1-carboxylate CAS Name: 4-[(3-ethoxycarbonyl-5-hydroxy-2-methyl-4-benzo[g]benzofuranyl)-pyridin-4-ylmethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3-ethoxycarbonyl-5-hydroxy-2-methylbenzo[g][1]benzofuran-4-yl)-pyridin-4-ylmethyl]piperazine-1-carboxylate Traditional Name: 4-[(3-carbethoxy-5-hydroxy-2-methyl-benzo[g]benzofuran-4-yl)-(4-pyridyl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=NC=C4)N5CCN(CC5)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=NC=C4)N5CCN(CC5)C(=O)OCC)C

InChI

InChI=1S/C29H31N3O6/c1-4-36-28(34)22-18(3)38-27-21-9-7-6-8-20(21)26(33)24(23(22)27)25(19-10-12-30-13-11-19)31-14-16-32(17-15-31)29(35)37-5-2/h6-13,25,33H,4-5,14-17H2,1-3H3