[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 3,3-diphenylpropanoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 3,3-diphenylpropanoate CAS Name: 3,3-diphenylpropanoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethyl] 3,3-diphenylpropanoate Traditional Name: 3,3-diphenylpropionic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C26H25NO5 MolecularWeight: 431.4804

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4)OC1

InChI

InChI=1S/C26H25NO5/c28-25(27-21-12-13-23-24(16-21)31-15-7-14-30-23)18-32-26(29)17-22(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-6,8-13,16,22H,7,14-15,17-18H2,(H,27,28)