methyl 4-[4,6-bis(azanyl)hexyl]benzoate

Systemtic Name: methyl 4-[4,6-bis(azanyl)hexyl]benzoate Openeye Name: methyl 4-(4,6-diaminohexyl)benzoate CAS Name: 4-(4,6-diaminohexyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4,6-diaminohexyl)benzoate Traditional Name: 4-(4,6-diaminohexyl)benzoic acid methyl ester Formula: C14H22N2O2 MolecularWeight: 250.33668

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCCC(CCN)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCCC(CCN)N

InChI

InChI=1S/C14H22N2O2/c1-18-14(17)12-7-5-11(6-8-12)3-2-4-13(16)9-10-15/h5-8,13H,2-4,9-10,15-16H2,1H3