[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 4-(2-methylpropyl)benzoate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 4-isobutylbenzoate CAS Name: 4-(2-methylpropyl)benzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 4-(2-methylpropyl)benzoate Traditional Name: 4-isobutylbenzoic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23NO5/c1-14(2)11-15-3-5-16(6-4-15)21(24)27-13-20(23)22-17-7-8-18-19(12-17)26-10-9-25-18/h3-8,12,14H,9-11,13H2,1-2H3,(H,22,23)