methyl 3-[4,5-bis(azanyl)-5-oxidanylidene-pentan-2-yl]benzoate

Systemtic Name: methyl 3-[4,5-bis(azanyl)-5-oxidanylidene-pentan-2-yl]benzoate Openeye Name: methyl 3-(3,4-diamino-1-methyl-4-oxo-butyl)benzoate CAS Name: 3-(4,5-diamino-5-oxopentan-2-yl)benzoic acid methyl ester IUPAC Name: methyl 3-(4,5-diamino-5-oxopentan-2-yl)benzoate Traditional Name: 3-(3,4-diamino-4-keto-1-methyl-butyl)benzoic acid methyl ester Formula: C13H18N2O3 MolecularWeight: 250.29362

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)N)N)C1=CC=CC(=C1)C(=O)OC

Isomeric SMILES

CC(CC(C(=O)N)N)C1=CC=CC(=C1)C(=O)OC

InChI

InChI=1S/C13H18N2O3/c1-8(6-11(14)12(15)16)9-4-3-5-10(7-9)13(17)18-2/h3-5,7-8,11H,6,14H2,1-2H3,(H2,15,16)