[(2R,5R)-2-methyl-5-propan-2-yl-cyclohexyl] 4-[(4-dimethylaminophenyl)diazenyl]benzoate

Systemtic Name: [(2R,5R)-2-methyl-5-propan-2-yl-cyclohexyl] 4-[(4-dimethylaminophenyl)diazenyl]benzoate Openeye Name: [(2R,5R)-5-isopropyl-2-methyl-cyclohexyl] 4-(4-dimethylaminophenyl)azobenzoate CAS Name: 4-(4-dimethylaminophenyl)azobenzoic acid [(2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] ester IUPAC Name: [(2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] 4-[(4-dimethylaminophenyl)diazenyl]benzoate Traditional Name: 4-(4-dimethylaminophenyl)azobenzoic acid [(2R,5R)-5-isopropyl-2-methyl-cyclohexyl] ester Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1OC(=O)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)N(C)C)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H](CC1OC(=O)C2=CC=C(C=C2)N=NC3=CC=C(C=C3)N(C)C)C(C)C

InChI

InChI=1S/C25H33N3O2/c1-17(2)20-7-6-18(3)24(16-20)30-25(29)19-8-10-21(11-9-19)26-27-22-12-14-23(15-13-22)28(4)5/h8-15,17-18,20,24H,6-7,16H2,1-5H3/t18-,20-,24?/m1/s1