1-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]benzyl]pyrrolidine-3-carboxylic acid Formula: C22H31NO3 MolecularWeight: 357.48644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCOC1=CC=C(C=C1)CN2CCC(C2)C(=O)O)C)C

Isomeric SMILES

CC(=CCC/C(=C/COC1=CC=C(C=C1)CN2CCC(C2)C(=O)O)/C)C

InChI

InChI=1S/C22H31NO3/c1-17(2)5-4-6-18(3)12-14-26-21-9-7-19(8-10-21)15-23-13-11-20(16-23)22(24)25/h5,7-10,12,20H,4,6,11,13-16H2,1-3H3,(H,24,25)/b18-12+