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

Systemtic Name: ethyl 4-[(4-chlorophenyl)-piperidin-1-yl-methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)-(1-piperidyl)methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[(4-chlorophenyl)-(1-piperidinyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)-piperidin-1-ylmethyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[(4-chlorophenyl)-piperidino-methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C28H28ClNO4 MolecularWeight: 477.97922

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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)Cl)N5CCCCC5)C

Isomeric SMILES

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

InChI

InChI=1S/C28H28ClNO4/c1-3-33-28(32)22-17(2)34-27-21-10-6-5-9-20(21)26(31)24(23(22)27)25(30-15-7-4-8-16-30)18-11-13-19(29)14-12-18/h5-6,9-14,25,31H,3-4,7-8,15-16H2,1-2H3