(3R)-1-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[(4-butoxy-3-chloranyl-5-methoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[(4-butoxy-3-chloro-5-methoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[(4-butoxy-3-chloro-5-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[(4-butoxy-3-chloro-5-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-(4-butoxy-3-chloro-5-methoxy-benzyl)-5-keto-pyrrolidine-3-carboxylate Formula: C17H21ClNO5- MolecularWeight: 354.80534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)CN2CC(CC2=O)C(=O)[O-])OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)CN2C[C@@H](CC2=O)C(=O)[O-])OC

InChI

InChI=1S/C17H22ClNO5/c1-3-4-5-24-16-13(18)6-11(7-14(16)23-2)9-19-10-12(17(21)22)8-15(19)20/h6-7,12H,3-5,8-10H2,1-2H3,(H,21,22)/p-1/t12-/m1/s1