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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 4-phenoxybenzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 4-phenoxybenzoate CAS Name: 4-phenoxybenzoic 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] 4-phenoxybenzoate Traditional Name: 4-phenoxybenzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C24H21NO6 MolecularWeight: 419.42664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)OC1

InChI

InChI=1S/C24H21NO6/c26-23(25-18-9-12-21-22(15-18)29-14-4-13-28-21)16-30-24(27)17-7-10-20(11-8-17)31-19-5-2-1-3-6-19/h1-3,5-12,15H,4,13-14,16H2,(H,25,26)