1-[[3,5-di(butan-2-yl)-4-methoxy-phenyl]methyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[[3,5-di(butan-2-yl)-4-methoxy-phenyl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methoxy-3,5-disec-butyl-phenyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[3,5-di(butan-2-yl)-4-methoxyphenyl]methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[3,5-di(butan-2-yl)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-(4-methoxy-3,5-disec-butyl-benzyl)proline Formula: C21H33NO3 MolecularWeight: 347.49162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1OC)C(C)CC)CN2CCCC2C(=O)O

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1OC)C(C)CC)CN2CCCC2C(=O)O

InChI

InChI=1S/C21H33NO3/c1-6-14(3)17-11-16(12-18(15(4)7-2)20(17)25-5)13-22-10-8-9-19(22)21(23)24/h11-12,14-15,19H,6-10,13H2,1-5H3,(H,23,24)