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

Systemtic Name: 7-[3-(2-ethoxyphenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[3-(2-ethoxyphenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[3-(2-ethoxyphenyl)-1-oxopropyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[3-(2-ethoxyphenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-(3-o-phenetylpropanoylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C21H22NO6- MolecularWeight: 384.40248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CCC(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

Isomeric SMILES

CCOC1=CC=CC=C1CCC(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

InChI

InChI=1S/C21H23NO6/c1-2-26-17-7-4-3-6-14(17)8-9-20(23)22-16-13-19-18(12-15(16)21(24)25)27-10-5-11-28-19/h3-4,6-7,12-13H,2,5,8-11H2,1H3,(H,22,23)(H,24,25)/p-1