4-[1-(4-bromanyl-2-methanoyl-phenyl)propylamino]butanoate

Systemtic Name: 4-[1-(4-bromanyl-2-methanoyl-phenyl)propylamino]butanoate Openeye Name: 4-[1-(4-bromo-2-formyl-phenyl)propylamino]butanoate CAS Name: 4-[1-(4-bromo-2-formylphenyl)propylamino]butanoate IUPAC Name: 4-[1-(4-bromo-2-formylphenyl)propylamino]butanoate Traditional Name: 4-[1-(4-bromo-2-formyl-phenyl)propylamino]butyrate Formula: C14H17BrNO3- MolecularWeight: 327.19368

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C(C=C1)Br)C=O)NCCCC(=O)[O-]

Isomeric SMILES

CCC(C1=C(C=C(C=C1)Br)C=O)NCCCC(=O)[O-]

InChI

InChI=1S/C14H18BrNO3/c1-2-13(16-7-3-4-14(18)19)12-6-5-11(15)8-10(12)9-17/h5-6,8-9,13,16H,2-4,7H2,1H3,(H,18,19)/p-1