methyl 3-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propoxy]methyl]benzoate

Systemtic Name: methyl 3-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propoxy]methyl]benzoate Openeye Name: methyl 3-[[(2S)-2,3-diamino-3-oxo-propoxy]methyl]benzoate CAS Name: 3-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]benzoate Traditional Name: 3-[[(2S)-2,3-diamino-3-keto-propoxy]methyl]benzoic acid methyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)COC[C@@H](C(=O)N)N

InChI

InChI=1S/C12H16N2O4/c1-17-12(16)9-4-2-3-8(5-9)6-18-7-10(13)11(14)15/h2-5,10H,6-7,13H2,1H3,(H2,14,15)/t10-/m0/s1