(3R)-1-[2-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[2-(3-chloranyl-4-hexoxy-5-methoxy-phenyl)ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[2-(3-chloro-4-hexoxy-5-methoxy-phenyl)ethyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[2-(3-chloro-4-hexoxy-5-methoxyphenyl)ethyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[2-(3-chloro-4-hexoxy-5-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[2-(3-chloro-4-hexoxy-5-methoxy-phenyl)ethyl]-5-keto-pyrrolidine-3-carboxylate Formula: C20H27ClNO5- MolecularWeight: 396.88508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1Cl)CCN2CC(CC2=O)C(=O)[O-])OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1Cl)CCN2C[C@@H](CC2=O)C(=O)[O-])OC

InChI

InChI=1S/C20H28ClNO5/c1-3-4-5-6-9-27-19-16(21)10-14(11-17(19)26-2)7-8-22-13-15(20(24)25)12-18(22)23/h10-11,15H,3-9,12-13H2,1-2H3,(H,24,25)/p-1/t15-/m1/s1