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

Systemtic Name: benzotriazol-1-yl 4-[4-[4-(4-methoxy-4-phenyl-cyclohexyl)piperazin-1-yl]phenyl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-[4-(4-methoxy-4-phenyl-cyclohexyl)piperazin-1-yl]phenyl]benzoate CAS Name: 4-[4-[4-(4-methoxy-4-phenylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-[4-(4-methoxy-4-phenylcyclohexyl)piperazin-1-yl]phenyl]benzoate Traditional Name: 4-[4-[4-(4-methoxy-4-phenyl-cyclohexyl)piperazino]phenyl]benzoic acid benzotriazol-1-yl ester Formula: C36H37N5O3 MolecularWeight: 587.71068

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5)C7=CC=CC=C7

Isomeric SMILES

COC1(CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5)C7=CC=CC=C7

InChI

InChI=1S/C36H37N5O3/c1-43-36(30-7-3-2-4-8-30)21-19-32(20-22-36)40-25-23-39(24-26-40)31-17-15-28(16-18-31)27-11-13-29(14-12-27)35(42)44-41-34-10-6-5-9-33(34)37-38-41/h2-18,32H,19-26H2,1H3