ethyl (E)-7-[(1R,2S)-2-octyl-5-pyrrolidin-1-yl-cyclopent-3-en-1-yl]hept-2-enoate

Systemtic Name: ethyl (E)-7-[(1R,2S)-2-octyl-5-pyrrolidin-1-yl-cyclopent-3-en-1-yl]hept-2-enoate Openeye Name: ethyl (E)-7-[(1R,2S)-2-octyl-5-pyrrolidin-1-yl-cyclopent-3-en-1-yl]hept-2-enoate CAS Name: (E)-7-[(1R,2S)-2-octyl-5-(1-pyrrolidinyl)-1-cyclopent-3-enyl]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-[(1R,2S)-2-octyl-5-pyrrolidin-1-ylcyclopent-3-en-1-yl]hept-2-enoate Traditional Name: (E)-7-[(1R,2S)-2-octyl-5-pyrrolidino-cyclopent-3-en-1-yl]hept-2-enoic acid ethyl ester Formula: C26H45NO2 MolecularWeight: 403.641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C=CC(C1CCCCC=CC(=O)OCC)N2CCCC2

Isomeric SMILES

CCCCCCCC[C@H]1C=CC([C@@H]1CCCC/C=C/C(=O)OCC)N2CCCC2

InChI

InChI=1S/C26H45NO2/c1-3-5-6-7-8-11-16-23-19-20-25(27-21-14-15-22-27)24(23)17-12-9-10-13-18-26(28)29-4-2/h13,18-20,23-25H,3-12,14-17,21-22H2,1-2H3/b18-13+/t23-,24+,25?/m0/s1