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

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)-piperidin-1-yl-methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)-(1-piperidyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[(2,4-dichlorophenyl)-(1-piperidinyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)-piperidin-1-ylmethyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[(2,4-dichlorophenyl)-piperidino-methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C28H27Cl2NO4 MolecularWeight: 512.42428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=C(C=C(C=C4)Cl)Cl)N5CCCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=C(C=C(C=C4)Cl)Cl)N5CCCCC5)C

InChI

InChI=1S/C28H27Cl2NO4/c1-3-34-28(33)22-16(2)35-27-19-10-6-5-9-18(19)26(32)24(23(22)27)25(31-13-7-4-8-14-31)20-12-11-17(29)15-21(20)30/h5-6,9-12,15,25,32H,3-4,7-8,13-14H2,1-2H3