2-(4-bromanyl-2-methanoyl-phenyl)-2-(propylamino)pentanoic acid

Systemtic Name: 2-(4-bromanyl-2-methanoyl-phenyl)-2-(propylamino)pentanoic acid Openeye Name: 2-(4-bromo-2-formyl-phenyl)-2-(propylamino)pentanoic acid CAS Name: 2-(4-bromo-2-formylphenyl)-2-(propylamino)pentanoic acid IUPAC Name: 2-(4-bromo-2-formylphenyl)-2-(propylamino)pentanoic acid Traditional Name: 2-(4-bromo-2-formyl-phenyl)-2-(propylamino)valeric acid Formula: C15H20BrNO3 MolecularWeight: 342.2282

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=C(C=C(C=C1)Br)C=O)(C(=O)O)NCCC

Isomeric SMILES

CCCC(C1=C(C=C(C=C1)Br)C=O)(C(=O)O)NCCC

InChI

InChI=1S/C15H20BrNO3/c1-3-7-15(14(19)20,17-8-4-2)13-6-5-12(16)9-11(13)10-18/h5-6,9-10,17H,3-4,7-8H2,1-2H3,(H,19,20)