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

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]-4-(4-methylpiperazin-1-yl)benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]benzoate Traditional Name: 3-[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]-4-(4-methylpiperazino)benzoic acid methyl ester Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C

InChI

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