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

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-1-yl]butyl (E)-3-azanylbut-2-enoate Openeye Name: 4-(4-benzhydrylpiperazin-1-yl)butyl (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid 4-[4-(diphenylmethyl)-1-piperazinyl]butyl ester IUPAC Name: 4-(4-benzhydrylpiperazin-1-yl)butyl (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid 4-(4-benzhydrylpiperazino)butyl ester Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCCCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N

Isomeric SMILES

C/C(=C\C(=O)OCCCCN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)/N

InChI

InChI=1S/C25H33N3O2/c1-21(26)20-24(29)30-19-9-8-14-27-15-17-28(18-16-27)25(22-10-4-2-5-11-22)23-12-6-3-7-13-23/h2-7,10-13,20,25H,8-9,14-19,26H2,1H3/b21-20+