ethyl 3-[2-(2,3-dimethylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[2-(2,3-dimethylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: ethyl 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(2,3-dimethylphenoxy)-1-oxoethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(2,3-dimethylphenoxy)acetyl]amino]-4-(4-ethylpiperazino)benzoic acid ethyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)COC3=CC=CC(=C3C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC)NC(=O)COC3=CC=CC(=C3C)C

InChI

InChI=1S/C25H33N3O4/c1-5-27-12-14-28(15-13-27)22-11-10-20(25(30)31-6-2)16-21(22)26-24(29)17-32-23-9-7-8-18(3)19(23)4/h7-11,16H,5-6,12-15,17H2,1-4H3,(H,26,29)