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

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic 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 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C19H18ClNO5 MolecularWeight: 375.80292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO5/c1-12-2-4-14(5-3-12)19(23)21-10-17(22)26-11-13-8-15(20)18-16(9-13)24-6-7-25-18/h2-5,8-9H,6-7,10-11H2,1H3,(H,21,23)