[phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate

Systemtic Name: [phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate Openeye Name: [phenyl-[4-(2-pyridyl)piperazin-1-yl]methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropanecarboxylate CAS Name: (1S,2S)-2-methoxy-1-(4-methoxyphenyl)-1-cyclopropanecarboxylic acid [phenyl-[4-(2-pyridinyl)-1-piperazinyl]methyl] ester IUPAC Name: [phenyl-(4-pyridin-2-ylpiperazin-1-yl)methyl] (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropane-1-carboxylate Traditional Name: (1S,2S)-2-methoxy-1-(4-methoxyphenyl)cyclopropanecarboxylic acid [phenyl-[4-(2-pyridyl)piperazino]methyl] ester Formula: C28H31N3O4 MolecularWeight: 473.56344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1CC1(C2=CC=C(C=C2)OC)C(=O)OC(C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=N5

Isomeric SMILES

CO[C@H]1C[C@@]1(C2=CC=C(C=C2)OC)C(=O)OC(C3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=N5

InChI

InChI=1S/C28H31N3O4/c1-33-23-13-11-22(12-14-23)28(20-24(28)34-2)27(32)35-26(21-8-4-3-5-9-21)31-18-16-30(17-19-31)25-10-6-7-15-29-25/h3-15,24,26H,16-20H2,1-2H3/t24-,26?,28-/m0/s1