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

Systemtic Name: ethyl 4-[(2,4-dichlorophenyl)-pyrrolidin-1-yl-methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[(2,4-dichlorophenyl)-pyrrolidin-1-yl-methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[(2,4-dichlorophenyl)-(1-pyrrolidinyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2,4-dichlorophenyl)-pyrrolidin-1-ylmethyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[(2,4-dichlorophenyl)-pyrrolidino-methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C27H25Cl2NO4 MolecularWeight: 498.3977

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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)N5CCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=C(C=C(C=C4)Cl)Cl)N5CCCC5)C

InChI

InChI=1S/C27H25Cl2NO4/c1-3-33-27(32)21-15(2)34-26-18-9-5-4-8-17(18)25(31)23(22(21)26)24(30-12-6-7-13-30)19-11-10-16(28)14-20(19)29/h4-5,8-11,14,24,31H,3,6-7,12-13H2,1-2H3