(3R)-1-[2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid

Systemtic Name: (3R)-1-[2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]ethyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: (3R)-1-[2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]ethyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: (3R)-1-[2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]ethyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: (3R)-1-[2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]ethyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: (3R)-5-keto-1-[2-[3-methoxy-4-(2-phenoxyethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CCN2CC(CC2=O)C(=O)O)OCCOC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CCN2C[C@@H](CC2=O)C(=O)O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C22H25NO6/c1-27-20-13-16(9-10-23-15-17(22(25)26)14-21(23)24)7-8-19(20)29-12-11-28-18-5-3-2-4-6-18/h2-8,13,17H,9-12,14-15H2,1H3,(H,25,26)/t17-/m1/s1