1-[(3-butoxyphenyl)methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(3-butoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(3-butoxyphenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(3-butoxyphenyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(3-butoxyphenyl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(3-butoxybenzyl)proline Formula: C16H23NO3 MolecularWeight: 277.35872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)CN2CCCC2C(=O)O

Isomeric SMILES

CCCCOC1=CC=CC(=C1)CN2CCCC2C(=O)O

InChI

InChI=1S/C16H23NO3/c1-2-3-10-20-14-7-4-6-13(11-14)12-17-9-5-8-15(17)16(18)19/h4,6-7,11,15H,2-3,5,8-10,12H2,1H3,(H,18,19)