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

Systemtic Name: 1-[(3-methoxy-4-phenethyloxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[(3-methoxy-4-phenethyloxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[(3-methoxy-4-phenethyloxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methoxy-4-phenethyloxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 5-keto-1-(3-methoxy-4-phenethyloxy-benzyl)pyrrolidine-3-carboxylic acid Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CC(CC2=O)C(=O)O)OCCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CC(CC2=O)C(=O)O)OCCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO5/c1-26-19-11-16(13-22-14-17(21(24)25)12-20(22)23)7-8-18(19)27-10-9-15-5-3-2-4-6-15/h2-8,11,17H,9-10,12-14H2,1H3,(H,24,25)