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

Systemtic Name: [(1R,2S,5R)-5-methyl-2-propan-2-yl-cyclohexyl] (E)-5-[(phenylmethyl)amino]pent-2-enoate Openeye Name: [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] (E)-5-(benzylamino)pent-2-enoate CAS Name: (E)-5-[(phenylmethyl)amino]-2-pentenoic acid [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (E)-5-(benzylamino)pent-2-enoate Traditional Name: (E)-5-(benzylamino)pent-2-enoic acid [(1R,2S,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C22H33NO2 MolecularWeight: 343.50292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CCCNCC2=CC=CC=C2)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C/CCNCC2=CC=CC=C2)C(C)C

InChI

InChI=1S/C22H33NO2/c1-17(2)20-13-12-18(3)15-21(20)25-22(24)11-7-8-14-23-16-19-9-5-4-6-10-19/h4-7,9-11,17-18,20-21,23H,8,12-16H2,1-3H3/b11-7+/t18-,20+,21-/m1/s1