[(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [(1R)-2-oxidanylidene-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-yl-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [(1R)-2-oxo-1-phenyl-2-(1-pyrrolidinyl)ethyl] ester IUPAC Name: [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [(1R)-2-keto-1-phenyl-2-pyrrolidino-ethyl] ester Formula: C22H21NO4 MolecularWeight: 363.40644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)O[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H21NO4/c1-15-17-11-5-6-12-18(17)26-19(15)22(25)27-20(16-9-3-2-4-10-16)21(24)23-13-7-8-14-23/h2-6,9-12,20H,7-8,13-14H2,1H3/t20-/m1/s1