7-[2-(4-ethoxyphenoxy)ethanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-[2-(4-ethoxyphenoxy)ethanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[[2-(4-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[2-(4-ethoxyphenoxy)-1-oxoethyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[[2-(4-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[[2-(4-ethoxyphenoxy)acetyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C20H20NO7- MolecularWeight: 386.3753

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)OCC(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

InChI

InChI=1S/C20H21NO7/c1-2-25-13-4-6-14(7-5-13)28-12-19(22)21-16-11-18-17(10-15(16)20(23)24)26-8-3-9-27-18/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,21,22)(H,23,24)/p-1