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

Systemtic Name: benzotriazol-1-yl 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]benzoate CAS Name: 4-[4-[4-(4-tert-butylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-[4-(4-tert-butylcyclohexyl)piperazin-1-yl]phenyl]benzoate Traditional Name: 4-[4-[4-(4-tert-butylcyclohexyl)piperazino]phenyl]benzoic acid benzotriazol-1-yl ester Formula: C33H39N5O2 MolecularWeight: 537.69506

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N2CCN(CC2)C3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C33H39N5O2/c1-33(2,3)27-14-18-29(19-15-27)37-22-20-36(21-23-37)28-16-12-25(13-17-28)24-8-10-26(11-9-24)32(39)40-38-31-7-5-4-6-30(31)34-35-38/h4-13,16-17,27,29H,14-15,18-23H2,1-3H3