(E)-3-(2-hexyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid

Systemtic Name: (E)-3-(2-hexyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid Openeye Name: (E)-3-(2-hexyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid CAS Name: (E)-3-(2-hexyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl)-2-propenoic acid IUPAC Name: (E)-3-(2-hexyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl)prop-2-enoic acid Traditional Name: (E)-3-(2-hexyl-1-phenyl-6,7-dihydro-5H-pyrrolizin-3-yl)acrylic acid Formula: C22H27NO2 MolecularWeight: 337.45528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N2CCCC2=C1C3=CC=CC=C3)C=CC(=O)O

Isomeric SMILES

CCCCCCC1=C(N2CCCC2=C1C3=CC=CC=C3)/C=C/C(=O)O

InChI

InChI=1S/C22H27NO2/c1-2-3-4-8-12-18-19(14-15-21(24)25)23-16-9-13-20(23)22(18)17-10-6-5-7-11-17/h5-7,10-11,14-15H,2-4,8-9,12-13,16H2,1H3,(H,24,25)/b15-14+