(4-ethylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate

Systemtic Name: (4-ethylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Openeye Name: (4-ethylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate CAS Name: 3-methyl-4-[4-(1-piperazinyl)phenyl]benzoic acid (4-ethylcyclohexyl) ester IUPAC Name: (4-ethylcyclohexyl) 3-methyl-4-(4-piperazin-1-ylphenyl)benzoate Traditional Name: 3-methyl-4-(4-piperazinophenyl)benzoic acid (4-ethylcyclohexyl) ester Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)OC(=O)C2=CC(=C(C=C2)C3=CC=C(C=C3)N4CCNCC4)C

Isomeric SMILES

CCC1CCC(CC1)OC(=O)C2=CC(=C(C=C2)C3=CC=C(C=C3)N4CCNCC4)C

InChI

InChI=1S/C26H34N2O2/c1-3-20-4-11-24(12-5-20)30-26(29)22-8-13-25(19(2)18-22)21-6-9-23(10-7-21)28-16-14-27-15-17-28/h6-10,13,18,20,24,27H,3-5,11-12,14-17H2,1-2H3