7-[3-(2,3-dimethoxyphenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate

Systemtic Name: 7-[3-(2,3-dimethoxyphenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Openeye Name: 7-[3-(2,3-dimethoxyphenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate CAS Name: 7-[[3-(2,3-dimethoxyphenyl)-1-oxopropyl]amino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate IUPAC Name: 7-[3-(2,3-dimethoxyphenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxylate Traditional Name: 7-[3-(2,3-dimethoxyphenyl)propanoylamino]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxylate Formula: C21H22NO7- MolecularWeight: 400.40188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)NC2=CC3=C(C=C2C(=O)[O-])OCCCO3

InChI

InChI=1S/C21H23NO7/c1-26-16-6-3-5-13(20(16)27-2)7-8-19(23)22-15-12-18-17(11-14(15)21(24)25)28-9-4-10-29-18/h3,5-6,11-12H,4,7-10H2,1-2H3,(H,22,23)(H,24,25)/p-1