(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-3-phenyl-2-ureido-propanoate CAS Name: (2S)-2-(carbamoylamino)-3-phenylpropanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-(carbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-ureido-propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H19ClN2O5 MolecularWeight: 390.81756

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)COC(=O)C(CC3=CC=CC=C3)NC(=O)N)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)COC(=O)[C@H](CC3=CC=CC=C3)NC(=O)N)Cl

InChI

InChI=1S/C19H19ClN2O5/c20-15-7-13-9-25-11-27-17(13)14(8-15)10-26-18(23)16(22-19(21)24)6-12-4-2-1-3-5-12/h1-5,7-8,16H,6,9-11H2,(H3,21,22,24)/t16-/m0/s1