[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate

Systemtic Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxidanylidene-ethyl] 4-ethylbenzoate Openeye Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxo-ethyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H25NO5 MolecularWeight: 383.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OCC(=O)N(CC)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OCC(=O)N(CC)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C22H25NO5/c1-3-16-5-8-18(9-6-16)22(25)28-15-21(24)23(4-2)14-17-7-10-19-20(13-17)27-12-11-26-19/h5-10,13H,3-4,11-12,14-15H2,1-2H3