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

Systemtic Name: ethyl 4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[(4-chlorophenyl)-(4-ethyl-1-piperazinyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)-(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[(4-chlorophenyl)-(4-ethylpiperazino)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C29H31ClN2O4 MolecularWeight: 507.02044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H31ClN2O4/c1-4-31-14-16-32(17-15-31)26(19-10-12-20(30)13-11-19)25-24-23(29(34)35-5-2)18(3)36-28(24)22-9-7-6-8-21(22)27(25)33/h6-13,26,33H,4-5,14-17H2,1-3H3