[2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate

Systemtic Name: [2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-2-oxidanylidene-ethyl] 5-methyl-2-oxidanyl-benzoate Openeye Name: [2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-2-oxo-ethyl] 2-hydroxy-5-methyl-benzoate CAS Name: 2-hydroxy-5-methylbenzoic acid [2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate Traditional Name: 2-hydroxy-5-methyl-benzoic acid [2-[[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-propyl]amino]-2-keto-ethyl] ester Formula: C23H27NO6 MolecularWeight: 413.46358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)O)C(=O)OCC(=O)NC(C2=CC3=C(C=C2)OCCCO3)C(C)C

InChI

InChI=1S/C23H27NO6/c1-14(2)22(16-6-8-19-20(12-16)29-10-4-9-28-19)24-21(26)13-30-23(27)17-11-15(3)5-7-18(17)25/h5-8,11-12,14,22,25H,4,9-10,13H2,1-3H3,(H,24,26)