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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3OC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)COC(=O)C3=CC=CC=C3OC4=CC=CC=C4)OC1

InChI

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