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

Systemtic Name: 1-[(3-bromanyl-5-methoxy-4-propoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: 1-[(3-bromo-5-methoxy-4-propoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: 1-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-bromo-5-methoxy-4-propoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: 1-(3-bromo-5-methoxy-4-propoxy-benzyl)-5-keto-pyrrolidine-3-carboxylic acid Formula: C16H20BrNO5 MolecularWeight: 386.2377

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)CN2CC(CC2=O)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)CN2CC(CC2=O)C(=O)O)OC

InChI

InChI=1S/C16H20BrNO5/c1-3-4-23-15-12(17)5-10(6-13(15)22-2)8-18-9-11(16(20)21)7-14(18)19/h5-6,11H,3-4,7-9H2,1-2H3,(H,20,21)