2-diethylaminoethyl 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate CAS Name: 4-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]benzoate Traditional Name: 4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C22H26N2O5/c1-3-24(4-2)13-14-27-22(26)16-9-11-17(12-10-16)23-21(25)20-15-28-18-7-5-6-8-19(18)29-20/h5-12,20H,3-4,13-15H2,1-2H3,(H,23,25)/t20-/m1/s1