1,3-benzodioxol-5-ylmethyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-[(4-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid piperonyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO6/c1-2-3-10-25-17-7-5-16(6-8-17)21(24)22-12-20(23)26-13-15-4-9-18-19(11-15)28-14-27-18/h4-9,11H,2-3,10,12-14H2,1H3,(H,22,24)