[(2R)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [(2R)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [(1R)-2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [(1R)-2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)OC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H25NO5/c1-14(20(24)23-17-8-6-16(7-9-17)22(2,3)4)28-21(25)15-5-10-18-19(13-15)27-12-11-26-18/h5-10,13-14H,11-12H2,1-4H3,(H,23,24)/t14-/m1/s1