[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-methoxy-benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 4-butoxy-3-methoxy-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 4-butoxy-3-methoxy-benzoate CAS Name: 4-butoxy-3-methoxybenzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 4-butoxy-3-methoxybenzoate Traditional Name: 4-butoxy-3-methoxy-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO7 MolecularWeight: 415.4364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)OC

InChI

InChI=1S/C22H25NO7/c1-4-5-10-27-17-8-6-15(11-19(17)26-3)22(25)30-14(2)21(24)23-16-7-9-18-20(12-16)29-13-28-18/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,23,24)