[2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(2-tert-butylphenyl)amino]-2-oxidanylidene-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(2-tert-butylanilino)-2-oxo-ethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(2-tert-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-tert-butylanilino)-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3S)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(2-tert-butylanilino)-2-keto-ethyl] ester Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)COC(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H23NO5/c1-21(2,3)14-8-4-5-9-15(14)22-19(23)13-26-20(24)18-12-25-16-10-6-7-11-17(16)27-18/h4-11,18H,12-13H2,1-3H3,(H,22,23)/t18-/m0/s1