(3R)-1-[[5-chloranyl-2-(3-phenylpropoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3R)-1-[[5-chloranyl-2-(3-phenylpropoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3R)-1-[[5-chloro-2-(3-phenylpropoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3R)-1-[[5-chloro-2-(3-phenylpropoxy)phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3R)-1-[[5-chloro-2-(3-phenylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3R)-1-[5-chloro-2-(3-phenylpropoxy)benzyl]-5-keto-pyrrolidine-3-carboxylate Formula: C21H21ClNO4- MolecularWeight: 386.84874

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CN(C1=O)CC2=C(C=CC(=C2)Cl)OCCCC3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

C1[C@H](CN(C1=O)CC2=C(C=CC(=C2)Cl)OCCCC3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C21H22ClNO4/c22-18-8-9-19(27-10-4-7-15-5-2-1-3-6-15)16(11-18)13-23-14-17(21(25)26)12-20(23)24/h1-3,5-6,8-9,11,17H,4,7,10,12-14H2,(H,25,26)/p-1/t17-/m1/s1