phenethyl 2-methyl-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate

Systemtic Name: phenethyl 2-methyl-5-oxidanyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate Openeye Name: phenethyl 5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)benzofuran-3-carboxylate CAS Name: 5-hydroxy-2-methyl-4-(1-pyrrolidinylmethyl)-3-benzofurancarboxylic acid phenethyl ester IUPAC Name: phenethyl 5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-carboxylate Traditional Name: 5-hydroxy-2-methyl-4-(pyrrolidinomethyl)benzofuran-3-carboxylic acid phenethyl ester Formula: C23H25NO4 MolecularWeight: 379.4489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2CN3CCCC3)O)C(=O)OCCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2CN3CCCC3)O)C(=O)OCCC4=CC=CC=C4

InChI

InChI=1S/C23H25NO4/c1-16-21(23(26)27-14-11-17-7-3-2-4-8-17)22-18(15-24-12-5-6-13-24)19(25)9-10-20(22)28-16/h2-4,7-10,25H,5-6,11-15H2,1H3