methyl 4-[(E)-[4-(diphenylmethyl)piperazin-1-yl]iminomethyl]benzoate

Systemtic Name: methyl 4-[(E)-[4-(diphenylmethyl)piperazin-1-yl]iminomethyl]benzoate Openeye Name: methyl 4-[(E)-(4-benzhydrylpiperazin-1-yl)iminomethyl]benzoate CAS Name: 4-[(E)-[4-(diphenylmethyl)-1-piperazinyl]iminomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-(4-benzhydrylpiperazin-1-yl)iminomethyl]benzoate Traditional Name: 4-[(E)-(4-benzhydrylpiperazino)iminomethyl]benzoic acid methyl ester Formula: C26H27N3O2 MolecularWeight: 413.51148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=NN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O2/c1-31-26(30)24-14-12-21(13-15-24)20-27-29-18-16-28(17-19-29)25(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20,25H,16-19H2,1H3/b27-20+