(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C20H20ClNO5/c1-12-4-3-5-14(6-12)19(23)22-13(2)20(24)26-10-16-8-17(21)7-15-9-25-11-27-18(15)16/h3-8,13H,9-11H2,1-2H3,(H,22,23)/t13-/m0/s1