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

Systemtic Name: ethyl 4-[(4-chlorophenyl)-pyrrolidin-1-yl-methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 4-[(4-chlorophenyl)-pyrrolidin-1-yl-methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylate CAS Name: 4-[(4-chlorophenyl)-(1-pyrrolidinyl)methyl]-5-hydroxy-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)-pyrrolidin-1-ylmethyl]-5-hydroxy-2-methylbenzo[g][1]benzofuran-3-carboxylate Traditional Name: 4-[(4-chlorophenyl)-pyrrolidino-methyl]-5-hydroxy-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C27H26ClNO4 MolecularWeight: 463.95264

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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)N5CCCC5)C

Isomeric SMILES

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

InChI

InChI=1S/C27H26ClNO4/c1-3-32-27(31)21-16(2)33-26-20-9-5-4-8-19(20)25(30)23(22(21)26)24(29-14-6-7-15-29)17-10-12-18(28)13-11-17/h4-5,8-13,24,30H,3,6-7,14-15H2,1-2H3