2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-ylmethyl 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid 2,3-dihydro-1,4-benzodioxin-3-ylmethyl ester Formula: C22H25NO6 MolecularWeight: 399.437

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2COC3=CC=CC=C3O2

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2COC3=CC=CC=C3O2

InChI

InChI=1S/C22H25NO6/c1-2-3-12-26-17-10-8-16(9-11-17)22(25)23-13-21(24)28-15-18-14-27-19-6-4-5-7-20(19)29-18/h4-11,18H,2-3,12-15H2,1H3,(H,23,25)