azanyl 4-[2-(3-azanylpropyl)-4-iodanyl-phenyl]butanoate

Systemtic Name: azanyl 4-[2-(3-azanylpropyl)-4-iodanyl-phenyl]butanoate Openeye Name: amino 4-[2-(3-aminopropyl)-4-iodo-phenyl]butanoate CAS Name: 4-[2-(3-aminopropyl)-4-iodophenyl]butanoic acid amino ester IUPAC Name: amino 4-[2-(3-aminopropyl)-4-iodophenyl]butanoate Traditional Name: 4-[2-(3-aminopropyl)-4-iodo-phenyl]butyric acid amino ester Formula: C13H19IN2O2 MolecularWeight: 362.20663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1I)CCCN)CCCC(=O)ON

Isomeric SMILES

C1=CC(=C(C=C1I)CCCN)CCCC(=O)ON

InChI

InChI=1S/C13H19IN2O2/c14-12-7-6-10(3-1-5-13(17)18-16)11(9-12)4-2-8-15/h6-7,9H,1-5,8,15-16H2