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

Systemtic Name: ethyl 4-[(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[(4-ethyl-1-piperazinyl)-(4-methoxyphenyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[(4-ethylpiperazino)-(4-methoxyphenyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C30H34N2O5 MolecularWeight: 502.60136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1CCN(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/C30H34N2O5/c1-5-31-15-17-32(18-16-31)27(20-11-13-21(35-4)14-12-20)26-25-24(30(34)36-6-2)19(3)37-29(25)23-10-8-7-9-22(23)28(26)33/h7-14,27,33H,5-6,15-18H2,1-4H3