[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic 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] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C22H21NO7 MolecularWeight: 411.40464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C22H21NO7/c1-13-16-11-15(26-2)5-7-17(16)30-21(13)22(25)29-12-20(24)23-14-4-6-18-19(10-14)28-9-3-8-27-18/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,23,24)