methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoate

Systemtic Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethoxy]-3-methoxy-benzoate Openeye Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)NC2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO7/c1-24-17-10-13(20(23)25-2)4-6-15(17)28-12-19(22)21-14-5-7-16-18(11-14)27-9-3-8-26-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22)