heptan-2-yl 4-[4-(4-heptan-2-yloxycarbonylphenyl)piperazin-1-yl]benzoate

Systemtic Name: heptan-2-yl 4-[4-(4-heptan-2-yloxycarbonylphenyl)piperazin-1-yl]benzoate Openeye Name: 1-methylhexyl 4-[4-[4-(1-methylhexoxycarbonyl)phenyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[4-[heptan-2-yloxy(oxo)methyl]phenyl]-1-piperazinyl]benzoic acid heptan-2-yl ester IUPAC Name: heptan-2-yl 4-[4-(4-heptan-2-yloxycarbonylphenyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-[4-(1-methylhexoxycarbonyl)phenyl]piperazino]benzoic acid 1-methylhexyl ester Formula: C32H46N2O4 MolecularWeight: 522.71864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)OC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC(C)CCCCC

Isomeric SMILES

CCCCCC(C)OC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC(C)CCCCC

InChI

InChI=1S/C32H46N2O4/c1-5-7-9-11-25(3)37-31(35)27-13-17-29(18-14-27)33-21-23-34(24-22-33)30-19-15-28(16-20-30)32(36)38-26(4)12-10-8-6-2/h13-20,25-26H,5-12,21-24H2,1-4H3