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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)CC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NC2=C(C=CC(=C2)C(=O)OCC)N3CCN(CC3)CC

InChI

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