methyl 3-[2-(4-tert-butylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate

Systemtic Name: methyl 3-[2-(4-tert-butylphenoxy)ethanoylamino]-4-(4-ethylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-4-(4-ethyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-(4-ethylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-(4-ethylpiperazino)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=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

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

InChI

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