[4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [4-oxo-4-(2,4,6-trimethylanilino)butyl] ester IUPAC Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-carboxylic acid (4-keto-4-mesidino-butyl) ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)CCCOC(=O)C2COC3=CC=CC=C3O2)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)CCCOC(=O)C2COC3=CC=CC=C3O2)C

InChI

InChI=1S/C22H25NO5/c1-14-11-15(2)21(16(3)12-14)23-20(24)9-6-10-26-22(25)19-13-27-17-7-4-5-8-18(17)28-19/h4-5,7-8,11-12,19H,6,9-10,13H2,1-3H3,(H,23,24)