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

Systemtic Name: ethyl 4-[(4-ethylpiperazin-1-yl)-pyridin-2-yl-methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[(4-ethylpiperazin-1-yl)-(2-pyridyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[(4-ethyl-1-piperazinyl)-(2-pyridinyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethylpiperazin-1-yl)-pyridin-2-ylmethyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[(4-ethylpiperazino)-(2-pyridyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C28H31N3O4 MolecularWeight: 473.56344

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(C2=CC=CC=N2)C3=C(C4=CC=CC=C4C5=C3C(=C(O5)C)C(=O)OCC)O

Isomeric SMILES

CCN1CCN(CC1)C(C2=CC=CC=N2)C3=C(C4=CC=CC=C4C5=C3C(=C(O5)C)C(=O)OCC)O

InChI

InChI=1S/C28H31N3O4/c1-4-30-14-16-31(17-15-30)25(21-12-8-9-13-29-21)24-23-22(28(33)34-5-2)18(3)35-27(23)20-11-7-6-10-19(20)26(24)32/h6-13,25,32H,4-5,14-17H2,1-3H3