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

Systemtic Name: (3S)-1-[(3-bromanyl-4-butoxy-5-methoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylic acid Openeye Name: (3S)-1-[(3-bromo-4-butoxy-5-methoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylic acid CAS Name: (3S)-1-[(3-bromo-4-butoxy-5-methoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylic acid IUPAC Name: (3S)-1-[(3-bromo-4-butoxy-5-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid Traditional Name: (3S)-1-(3-bromo-4-butoxy-5-methoxy-benzyl)-5-keto-pyrrolidine-3-carboxylic acid Formula: C17H22BrNO5 MolecularWeight: 400.26428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Br)CN2CC(CC2=O)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Br)CN2C[C@H](CC2=O)C(=O)O)OC

InChI

InChI=1S/C17H22BrNO5/c1-3-4-5-24-16-13(18)6-11(7-14(16)23-2)9-19-10-12(17(21)22)8-15(19)20/h6-7,12H,3-5,8-10H2,1-2H3,(H,21,22)/t12-/m0/s1