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

Systemtic Name: ethyl 2-methyl-5-oxidanyl-4-[(4-phenylpiperazin-1-yl)methyl]benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(4-phenyl-1-piperazinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(4-phenylpiperazin-1-yl)methyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(4-phenylpiperazino)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C27H28N2O4 MolecularWeight: 444.52222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)CN4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)CN4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H28N2O4/c1-3-32-27(31)23-18(2)33-26-21-12-8-7-11-20(21)25(30)22(24(23)26)17-28-13-15-29(16-14-28)19-9-5-4-6-10-19/h4-12,30H,3,13-17H2,1-2H3