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

Systemtic Name: prop-2-enyl 3-[[(2S)-2,3-bis(azanyl)-3-oxidanylidene-propoxy]methyl]benzoate Openeye Name: allyl 3-[[(2S)-2,3-diamino-3-oxo-propoxy]methyl]benzoate CAS Name: 3-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]benzoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl 3-[[(2S)-2,3-diamino-3-oxopropoxy]methyl]benzoate Traditional Name: 3-[[(2S)-2,3-diamino-3-keto-propoxy]methyl]benzoic acid allyl ester Formula: C14H18N2O4 MolecularWeight: 278.30372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4/c1-2-6-20-14(18)11-5-3-4-10(7-11)8-19-9-12(15)13(16)17/h2-5,7,12H,1,6,8-9,15H2,(H2,16,17)/t12-/m0/s1