methyl 4-(4-ethylpiperazin-1-yl)-3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]benzoic acid methyl ester Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=C(C=CC(=C3)C)C(C)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)COC3=C(C=CC(=C3)C)C(C)C

InChI

InChI=1S/C26H35N3O4/c1-6-28-11-13-29(14-12-28)23-10-8-20(26(31)32-5)16-22(23)27-25(30)17-33-24-15-19(4)7-9-21(24)18(2)3/h7-10,15-16,18H,6,11-14,17H2,1-5H3,(H,27,30)