methyl 3-[2-(4-butan-2-ylphenoxy)ethanoylamino]-4-(4-methylpiperazin-1-yl)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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