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

Systemtic Name: methyl 4-[4-(phenylmethyl)piperazin-1-yl]-3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate Openeye Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate CAS Name: 3-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 4-(4-benzylpiperazin-1-yl)-3-[[(E)-3-phenylprop-2-enoyl]amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[[(E)-3-phenylacryloyl]amino]benzoic acid methyl ester Formula: C28H29N3O3 MolecularWeight: 455.54816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C28H29N3O3/c1-34-28(33)24-13-14-26(25(20-24)29-27(32)15-12-22-8-4-2-5-9-22)31-18-16-30(17-19-31)21-23-10-6-3-7-11-23/h2-15,20H,16-19,21H2,1H3,(H,29,32)/b15-12+