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

Systemtic Name: methyl 3-[2-(4-tert-butylphenoxy)ethanoylamino]-4-(4-methylpiperazin-1-yl)benzoate Openeye Name: methyl 3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 3-[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-4-(4-methyl-1-piperazinyl)benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate Traditional Name: 3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O4/c1-25(2,3)19-7-9-20(10-8-19)32-17-23(29)26-21-16-18(24(30)31-5)6-11-22(21)28-14-12-27(4)13-15-28/h6-11,16H,12-15,17H2,1-5H3,(H,26,29)