(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-ethoxyphenyl)carbonylamino]ethanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-ethoxyphenyl)carbonylamino]ethanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate CAS Name: 2-[[(4-ethoxyphenyl)-oxomethyl]amino]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-ethoxybenzoyl)amino]acetate Traditional Name: 2-[(4-ethoxybenzoyl)amino]acetic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H20ClNO6 MolecularWeight: 405.8289

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C20H20ClNO6/c1-2-26-17-5-3-13(4-6-17)20(24)22-9-18(23)27-11-15-8-16(21)7-14-10-25-12-28-19(14)15/h3-8H,2,9-12H2,1H3,(H,22,24)