benzotriazol-1-yl 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoate

Systemtic Name: benzotriazol-1-yl 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoate CAS Name: 4-[4-[4-(4-cyclohexylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-[4-(4-cyclohexylcyclohexyl)piperazin-1-yl]phenyl]benzoate Traditional Name: 4-[4-[4-(4-cyclohexylcyclohexyl)piperazino]phenyl]benzoic acid benzotriazol-1-yl ester Formula: C35H41N5O2 MolecularWeight: 563.73234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

Isomeric SMILES

C1CCC(CC1)C2CCC(CC2)N3CCN(CC3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)ON6C7=CC=CC=C7N=N6

InChI

InChI=1S/C35H41N5O2/c41-35(42-40-34-9-5-4-8-33(34)36-37-40)30-12-10-27(11-13-30)29-16-20-32(21-17-29)39-24-22-38(23-25-39)31-18-14-28(15-19-31)26-6-2-1-3-7-26/h4-5,8-13,16-17,20-21,26,28,31H,1-3,6-7,14-15,18-19,22-25H2