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

Systemtic Name: [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-oxidanyl-benzoate Openeye Name: [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]amino]-2-oxo-ethyl] 3-hydroxy-4-methyl-benzoate CAS Name: 3-hydroxy-4-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] 3-hydroxy-4-methylbenzoate Traditional Name: 3-hydroxy-4-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=C(C=C(C=C1)C(=O)OCC(=O)NC(C2=CC3=C(C=C2)OCCO3)C(C)C)O

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C2=CC3=C(C=C2)OCCO3)C(C)C)O

InChI

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