7-[3-(4-methoxyphenoxy)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid

Systemtic Name: 7-[3-(4-methoxyphenoxy)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Openeye Name: 7-[3-(4-methoxyphenoxy)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid CAS Name: 7-[[3-(4-methoxyphenoxy)-1-oxopropyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid IUPAC Name: 7-[3-(4-methoxyphenoxy)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylic acid Traditional Name: 7-[3-(4-methoxyphenoxy)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylic acid Formula: C20H21NO7 MolecularWeight: 387.38324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

Isomeric SMILES

COC1=CC=C(C=C1)OCCC(=O)NC2=CC3=C(C=C2C(=O)O)OCCCO3

InChI

InChI=1S/C20H21NO7/c1-25-13-3-5-14(6-4-13)26-10-7-19(22)21-16-12-18-17(11-15(16)20(23)24)27-8-2-9-28-18/h3-6,11-12H,2,7-10H2,1H3,(H,21,22)(H,23,24)