methyl (3S,4R)-4-(3-cyclopentyloxy-4-methoxy-phenyl)-1-propanoyl-pyrrolidine-3-carboxylate

Systemtic Name: methyl (3S,4R)-4-(3-cyclopentyloxy-4-methoxy-phenyl)-1-propanoyl-pyrrolidine-3-carboxylate Openeye Name: methyl (3S,4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-propanoyl-pyrrolidine-3-carboxylate CAS Name: (3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-(1-oxopropyl)-3-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-1-propanoylpyrrolidine-3-carboxylate Traditional Name: (3S,4R)-4-[3-(cyclopentoxy)-4-methoxy-phenyl]-1-propionyl-pyrrolidine-3-carboxylic acid methyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC(C(C1)C(=O)OC)C2=CC(=C(C=C2)OC)OC3CCCC3

Isomeric SMILES

CCC(=O)N1C[C@H]([C@@H](C1)C(=O)OC)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C21H29NO5/c1-4-20(23)22-12-16(17(13-22)21(24)26-3)14-9-10-18(25-2)19(11-14)27-15-7-5-6-8-15/h9-11,15-17H,4-8,12-13H2,1-3H3/t16-,17+/m0/s1