(3R)-1-[2-(2-butoxy-5-chloranyl-phenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[2-(2-butoxy-5-chloranyl-phenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-(2-butoxy-5-chloro-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-(2-butoxy-5-chlorophenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-(2-butoxy-5-chlorophenyl)ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[2-(2-butoxy-5-chloro-phenyl)ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C17H21ClNO4- MolecularWeight: 338.80594

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)CCN2CC(CC2=O)C(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)CCN2C[C@@H](CC2=O)C(=O)[O-]

InChI

InChI=1S/C17H22ClNO4/c1-2-3-8-23-15-5-4-14(18)9-12(15)6-7-19-11-13(17(21)22)10-16(19)20/h4-5,9,13H,2-3,6-8,10-11H2,1H3,(H,21,22)/p-1/t13-/m1/s1