[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-6-pyrrol-1-ylhex-2-enoate

Systemtic Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-6-pyrrol-1-ylhex-2-enoate Openeye Name: [(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)cyclohexyl] (E)-6-pyrrol-1-ylhex-2-enoate CAS Name: (E)-6-(1-pyrrolyl)-2-hexenoic acid [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] ester IUPAC Name: [(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (E)-6-pyrrol-1-ylhex-2-enoate Traditional Name: (E)-6-pyrrol-1-ylhex-2-enoic acid [(1R,2S,5R)-2-cumyl-5-methyl-cyclohexyl] ester Formula: C26H35NO2 MolecularWeight: 393.5616

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C=CCCCN2C=CC=C2)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

C[C@@H]1CC[C@H]([C@@H](C1)OC(=O)/C=C/CCCN2C=CC=C2)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C26H35NO2/c1-21-15-16-23(26(2,3)22-12-6-4-7-13-22)24(20-21)29-25(28)14-8-5-9-17-27-18-10-11-19-27/h4,6-8,10-14,18-19,21,23-24H,5,9,15-17,20H2,1-3H3/b14-8+/t21-,23-,24-/m1/s1