1-[(3-methyl-4-octoxy-phenyl)methyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[(3-methyl-4-octoxy-phenyl)methyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[(3-methyl-4-octoxy-phenyl)methyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[(3-methyl-4-octoxyphenyl)methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-methyl-4-octoxyphenyl)methyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-(3-methyl-4-octoxy-benzyl)pyrrolidine-3-carboxylic acid Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)CN2CCC(C2)C(=O)O)C

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)CN2CCC(C2)C(=O)O)C

InChI

InChI=1S/C21H33NO3/c1-3-4-5-6-7-8-13-25-20-10-9-18(14-17(20)2)15-22-12-11-19(16-22)21(23)24/h9-10,14,19H,3-8,11-13,15-16H2,1-2H3,(H,23,24)