butyl 4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate

Systemtic Name: butyl 4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]oxybenzoate Openeye Name: butyl 4-[(1R)-2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethoxy]benzoate CAS Name: 4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]oxybenzoic acid butyl ester IUPAC Name: butyl 4-[(2R)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]oxybenzoate Traditional Name: 4-[(1R)-2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethoxy]benzoic acid butyl ester Formula: C21H23NO6 MolecularWeight: 385.41042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)O[C@H](C)C(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H23NO6/c1-3-4-11-25-21(24)15-5-8-17(9-6-15)28-14(2)20(23)22-16-7-10-18-19(12-16)27-13-26-18/h5-10,12,14H,3-4,11,13H2,1-2H3,(H,22,23)/t14-/m1/s1