[2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-methoxyphenyl)amino]-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-methoxyanilino)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoic acid [2-(3-methoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-methoxyanilino)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butyric acid [2-keto-2-(m-anisidino)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)COC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H21NO7/c1-26-16-4-2-3-15(12-16)22-20(24)13-29-21(25)8-6-17(23)14-5-7-18-19(11-14)28-10-9-27-18/h2-5,7,11-12H,6,8-10,13H2,1H3,(H,22,24)