(3S)-1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-5-keto-1-[3-methoxy-4-(3-phenylpropoxy)benzyl]pyrrolidine-3-carboxylate Formula: C22H24NO5- MolecularWeight: 382.42966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CC(CC2=O)C(=O)[O-])OCCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CN2C[C@H](CC2=O)C(=O)[O-])OCCCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO5/c1-27-20-12-17(14-23-15-18(22(25)26)13-21(23)24)9-10-19(20)28-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12,18H,5,8,11,13-15H2,1H3,(H,25,26)/p-1/t18-/m0/s1