7-(3-phenylpropanoylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-(3-phenylpropanoylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-(3-phenylpropanoylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[(1-oxo-3-phenylpropyl)amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-(3-phenylpropanoylamino)-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-(hydrocinnamoylamino)-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C19H18NO5- MolecularWeight: 340.34992

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)CCC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C(=C2)C(=O)[O-])NC(=O)CCC3=CC=CC=C3)OC1

InChI

InChI=1S/C19H19NO5/c21-18(8-7-13-5-2-1-3-6-13)20-15-12-17-16(11-14(15)19(22)23)24-9-4-10-25-17/h1-3,5-6,11-12H,4,7-10H2,(H,20,21)(H,22,23)/p-1