methyl 3-[2-[4-(4-cyanophenyl)piperazin-1-yl]ethanoyl-phenethyl-amino]propanoate

Systemtic Name: methyl 3-[2-[4-(4-cyanophenyl)piperazin-1-yl]ethanoyl-phenethyl-amino]propanoate Openeye Name: methyl 3-[[2-[4-(4-cyanophenyl)piperazin-1-yl]acetyl]-phenethyl-amino]propanoate CAS Name: 3-[[2-[4-(4-cyanophenyl)-1-piperazinyl]-1-oxoethyl]-phenethylamino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-(4-cyanophenyl)piperazin-1-yl]acetyl]-phenethylamino]propanoate Traditional Name: 3-[[2-[4-(4-cyanophenyl)piperazino]acetyl]-phenethyl-amino]propionic acid methyl ester Formula: C25H30N4O3 MolecularWeight: 434.5307

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN(CCC1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C#N

Isomeric SMILES

COC(=O)CCN(CCC1=CC=CC=C1)C(=O)CN2CCN(CC2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H30N4O3/c1-32-25(31)12-14-29(13-11-21-5-3-2-4-6-21)24(30)20-27-15-17-28(18-16-27)23-9-7-22(19-26)8-10-23/h2-10H,11-18,20H2,1H3