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

Systemtic Name: nonan-2-yl 4-[4-(4-nonan-2-yloxycarbonylphenyl)piperazin-1-yl]benzoate Openeye Name: 1-methyloctyl 4-[4-[4-(1-methyloctoxycarbonyl)phenyl]piperazin-1-yl]benzoate CAS Name: 4-[4-[4-[nonan-2-yloxy(oxo)methyl]phenyl]-1-piperazinyl]benzoic acid nonan-2-yl ester IUPAC Name: nonan-2-yl 4-[4-(4-nonan-2-yloxycarbonylphenyl)piperazin-1-yl]benzoate Traditional Name: 4-[4-[4-(1-methyloctoxycarbonyl)phenyl]piperazino]benzoic acid 1-methyloctyl ester Formula: C36H54N2O4 MolecularWeight: 578.82496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)OC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC(C)CCCCCCC

Isomeric SMILES

CCCCCCCC(C)OC(=O)C1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)C(=O)OC(C)CCCCCCC

InChI

InChI=1S/C36H54N2O4/c1-5-7-9-11-13-15-29(3)41-35(39)31-17-21-33(22-18-31)37-25-27-38(28-26-37)34-23-19-32(20-24-34)36(40)42-30(4)16-14-12-10-8-6-2/h17-24,29-30H,5-16,25-28H2,1-4H3