methyl 4-[[(3-azanyl-3-oxidanylidene-propyl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(3-azanyl-3-oxidanylidene-propyl)amino]methyl]benzoate Openeye Name: methyl 4-[[(3-amino-3-oxo-propyl)amino]methyl]benzoate CAS Name: 4-[[(3-amino-3-oxopropyl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-amino-3-oxopropyl)amino]methyl]benzoate Traditional Name: 4-[[(3-amino-3-keto-propyl)amino]methyl]benzoic acid methyl ester Formula: C12H16N2O3 MolecularWeight: 236.26704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNCCC(=O)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNCCC(=O)N

InChI

InChI=1S/C12H16N2O3/c1-17-12(16)10-4-2-9(3-5-10)8-14-7-6-11(13)15/h2-5,14H,6-8H2,1H3,(H2,13,15)