(3S)-1-[(3-bromanyl-5-methoxy-4-pentoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate

Systemtic Name: (3S)-1-[(3-bromanyl-5-methoxy-4-pentoxy-phenyl)methyl]-5-oxidanylidene-pyrrolidine-3-carboxylate Openeye Name: (3S)-1-[(3-bromo-5-methoxy-4-pentoxy-phenyl)methyl]-5-oxo-pyrrolidine-3-carboxylate CAS Name: (3S)-1-[(3-bromo-5-methoxy-4-pentoxyphenyl)methyl]-5-oxo-3-pyrrolidinecarboxylate IUPAC Name: (3S)-1-[(3-bromo-5-methoxy-4-pentoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylate Traditional Name: (3S)-1-(4-amoxy-3-bromo-5-methoxy-benzyl)-5-keto-pyrrolidine-3-carboxylate Formula: C18H23BrNO5- MolecularWeight: 413.28292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1Br)CN2CC(CC2=O)C(=O)[O-])OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1Br)CN2C[C@H](CC2=O)C(=O)[O-])OC

InChI

InChI=1S/C18H24BrNO5/c1-3-4-5-6-25-17-14(19)7-12(8-15(17)24-2)10-20-11-13(18(22)23)9-16(20)21/h7-8,13H,3-6,9-11H2,1-2H3,(H,22,23)/p-1/t13-/m0/s1