1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[[3-methoxy-4-(3-phenylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 5-keto-1-[3-methoxy-4-(3-phenylpropoxy)benzyl]pyrrolidine-3-carboxylic acid Formula: C22H25NO5 MolecularWeight: 383.4376

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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)CN2CC(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)