[2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 3-methyl-2-oxidanyl-benzoate Openeye Name: [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-2-oxo-ethyl] 2-hydroxy-3-methyl-benzoate CAS Name: 2-hydroxy-3-methylbenzoic acid [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-2-oxoethyl] 2-hydroxy-3-methylbenzoate Traditional Name: 2-hydroxy-3-methyl-benzoic acid [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-2-keto-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1O)C(=O)OCC(=O)NC(C2=CC3=C(C=C2)OCCO3)C(C)C

Isomeric SMILES

CC1=CC=CC(=C1O)C(=O)OCC(=O)NC(C2=CC3=C(C=C2)OCCO3)C(C)C

InChI

InChI=1S/C22H25NO6/c1-13(2)20(15-7-8-17-18(11-15)28-10-9-27-17)23-19(24)12-29-22(26)16-6-4-5-14(3)21(16)25/h4-8,11,13,20,25H,9-10,12H2,1-3H3,(H,23,24)