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

Systemtic Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxidanylidene-ethyl] 3-methoxy-4-methyl-benzoate Openeye Name: [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-oxo-ethyl] 3-methoxy-4-methyl-benzoate CAS Name: 3-methoxy-4-methylbenzoic 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-methoxy-4-methylbenzoate Traditional Name: 3-methoxy-4-methyl-benzoic acid [2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylamino)-2-keto-ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC3=C(C=C2)OCCCO3)OC

InChI

InChI=1S/C20H21NO6/c1-13-4-5-14(10-17(13)24-2)20(23)27-12-19(22)21-15-6-7-16-18(11-15)26-9-3-8-25-16/h4-7,10-11H,3,8-9,12H2,1-2H3,(H,21,22)