methyl 3-[4,5-bis(azanyl)-5-oxidanylidene-pentyl]benzoate

Systemtic Name: methyl 3-[4,5-bis(azanyl)-5-oxidanylidene-pentyl]benzoate Openeye Name: methyl 3-(4,5-diamino-5-oxo-pentyl)benzoate CAS Name: 3-(4,5-diamino-5-oxopentyl)benzoic acid methyl ester IUPAC Name: methyl 3-(4,5-diamino-5-oxopentyl)benzoate Traditional Name: 3-(4,5-diamino-5-keto-pentyl)benzoic acid methyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O3/c1-18-13(17)10-6-2-4-9(8-10)5-3-7-11(14)12(15)16/h2,4,6,8,11H,3,5,7,14H2,1H3,(H2,15,16)