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

Systemtic Name: ethyl 2-methyl-4-[(S)-(4-methylphenyl)-pyrrolidin-1-yl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate Openeye Name: ethyl 5-hydroxy-2-methyl-4-[(S)-p-tolyl(pyrrolidin-1-yl)methyl]benzo[g]benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-(1-pyrrolidinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-pyrrolidin-1-ylmethyl]benzo[g][1]benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-[(S)-p-tolyl(pyrrolidino)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester Formula: C28H29NO4 MolecularWeight: 443.53416

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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)N5CCCC5)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@H](C4=CC=C(C=C4)C)N5CCCC5)C

InChI

InChI=1S/C28H29NO4/c1-4-32-28(31)22-18(3)33-27-21-10-6-5-9-20(21)26(30)24(23(22)27)25(29-15-7-8-16-29)19-13-11-17(2)12-14-19/h5-6,9-14,25,30H,4,7-8,15-16H2,1-3H3/t25-/m0/s1