(4-octan-2-yloxycarbonylphenyl) 4-(4-undecylpiperazin-1-yl)benzoate

Systemtic Name: (4-octan-2-yloxycarbonylphenyl) 4-(4-undecylpiperazin-1-yl)benzoate Openeye Name: [4-(1-methylheptoxycarbonyl)phenyl] 4-(4-undecylpiperazin-1-yl)benzoate CAS Name: 4-(4-undecyl-1-piperazinyl)benzoic acid [4-[octan-2-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-octan-2-yloxycarbonylphenyl) 4-(4-undecylpiperazin-1-yl)benzoate Traditional Name: 4-(4-undecylpiperazino)benzoic acid [4-(1-methylheptoxycarbonyl)phenyl] ester Formula: C37H56N2O4 MolecularWeight: 592.85154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCN1CCN(CC1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

InChI

InChI=1S/C37H56N2O4/c1-4-6-8-10-11-12-13-14-16-26-38-27-29-39(30-28-38)34-22-18-32(19-23-34)37(41)43-35-24-20-33(21-25-35)36(40)42-31(3)17-15-9-7-5-2/h18-25,31H,4-17,26-30H2,1-3H3