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

Systemtic Name: benzotriazol-1-yl 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoate Openeye Name: benzotriazol-1-yl 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoate CAS Name: 4-[4-[4-(4,4-dimethylcyclohexyl)-1-piperazinyl]phenyl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[4-[4-(4,4-dimethylcyclohexyl)piperazin-1-yl]phenyl]benzoate Traditional Name: 4-[4-[4-(4,4-dimethylcyclohexyl)piperazino]phenyl]benzoic acid benzotriazol-1-yl ester Formula: C31H35N5O2 MolecularWeight: 509.6419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H35N5O2/c1-31(2)17-15-27(16-18-31)35-21-19-34(20-22-35)26-13-11-24(12-14-26)23-7-9-25(10-8-23)30(37)38-36-29-6-4-3-5-28(29)32-33-36/h3-14,27H,15-22H2,1-2H3