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

Systemtic Name: ethyl 2-methyl-4-[(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)-(p-tolyl)methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(4-methylphenyl)-(4-methyl-1-piperazinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(4-methylphenyl)-(4-methylpiperazin-1-yl)methyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(4-methylpiperazino)-(p-tolyl)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C29H32N2O4 MolecularWeight: 472.57538

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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=C(C=C4)C)N5CCN(CC5)C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H32N2O4/c1-5-34-29(33)23-19(3)35-28-22-9-7-6-8-21(22)27(32)25(24(23)28)26(20-12-10-18(2)11-13-20)31-16-14-30(4)15-17-31/h6-13,26,32H,5,14-17H2,1-4H3