[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-5-phenylazanyl-5-pyridin-2-yl-pent-2-enoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-5-phenylazanyl-5-pyridin-2-yl-pent-2-enoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] (E)-5-anilino-5-(2-pyridyl)pent-2-enoate CAS Name: (E)-5-anilino-5-(2-pyridinyl)-2-pentenoic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (E)-5-anilino-5-pyridin-2-ylpent-2-enoate Traditional Name: (E)-5-anilino-5-(2-pyridyl)pent-2-enoic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H34N2O2 MolecularWeight: 406.56036

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CCC(C2=CC=CC=N2)NC3=CC=CC=C3)C(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)/C=C/CC(C2=CC=CC=N2)NC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C26H34N2O2/c1-19(2)22-16-15-20(3)18-25(22)30-26(29)14-9-13-24(23-12-7-8-17-27-23)28-21-10-5-4-6-11-21/h4-12,14,17,19-20,22,24-25,28H,13,15-16,18H2,1-3H3/b14-9+/t20-,22+,24?,25-/m0/s1