methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[[(E)-3-phenylacryloyl]amino]benzoic acid methyl ester Formula: C22H25N3O3 MolecularWeight: 379.4522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3/c1-24-12-14-25(15-13-24)20-10-9-18(22(27)28-2)16-19(20)23-21(26)11-8-17-6-4-3-5-7-17/h3-11,16H,12-15H2,1-2H3,(H,23,26)/b11-8+