[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(4-cyanophenyl)methylideneamino]ethanoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(4-cyanophenyl)methylideneamino]ethanoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-[(4-cyanophenyl)methyleneamino]acetate CAS Name: 2-[(4-cyanophenyl)methylideneamino]acetic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(4-cyanophenyl)methylideneamino]acetate Traditional Name: 2-[(4-cyanobenzylidene)amino]acetic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H26N2O2 MolecularWeight: 326.43264

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CN=CC2=CC=C(C=C2)C#N)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)CN=CC2=CC=C(C=C2)C#N)C(C)C

InChI

InChI=1S/C20H26N2O2/c1-14(2)18-9-4-15(3)10-19(18)24-20(23)13-22-12-17-7-5-16(11-21)6-8-17/h5-8,12,14-15,18-19H,4,9-10,13H2,1-3H3/t15-,18+,19-/m1/s1