3-[4-(diphenylmethyl)piperazin-1-yl]propyl (E)-3-azanylbut-2-enoate

Systemtic Name: 3-[4-(diphenylmethyl)piperazin-1-yl]propyl (E)-3-azanylbut-2-enoate Openeye Name: 3-(4-benzhydrylpiperazin-1-yl)propyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 3-[4-(diphenylmethyl)-1-piperazinyl]propyl ester IUPAC Name: 3-(4-benzhydrylpiperazin-1-yl)propyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 3-(4-benzhydrylpiperazino)propyl ester Formula: C24H31N3O2 MolecularWeight: 393.52184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C\C(=O)OCCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)/N

InChI

InChI=1S/C24H31N3O2/c1-20(25)19-23(28)29-18-8-13-26-14-16-27(17-15-26)24(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-7,9-12,19,24H,8,13-18,25H2,1H3/b20-19+