(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate CAS Name: 3-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-[(3-methylbenzoyl)amino]propanoate Traditional Name: 3-(m-toluoylamino)propionic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C20H20ClNO5 MolecularWeight: 389.8295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NCCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NCCC(=O)OCC2=CC3=C(C(=C2)Cl)OCCO3

InChI

InChI=1S/C20H20ClNO5/c1-13-3-2-4-15(9-13)20(24)22-6-5-18(23)27-12-14-10-16(21)19-17(11-14)25-7-8-26-19/h2-4,9-11H,5-8,12H2,1H3,(H,22,24)