[(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-[(2-methoxyphenyl)amino]pent-4-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (2R)-2-[(2-methoxyphenyl)amino]pent-4-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (2R)-2-(2-methoxyanilino)pent-4-enoate CAS Name: (2R)-2-(2-methoxyanilino)-4-pentenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2R)-2-(2-methoxyanilino)pent-4-enoate Traditional Name: (2R)-2-(o-anisidino)pent-4-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H33NO3 MolecularWeight: 359.50232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C(CC=C)NC2=CC=CC=C2OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)[C@@H](CC=C)NC2=CC=CC=C2OC)C(C)C

InChI

InChI=1S/C22H33NO3/c1-6-9-19(23-18-10-7-8-11-20(18)25-5)22(24)26-21-14-16(4)12-13-17(21)15(2)3/h6-8,10-11,15-17,19,21,23H,1,9,12-14H2,2-5H3/t16-,17+,19-,21-/m1/s1