1-[[4-[(3,5-ditert-butylphenyl)methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid

Systemtic Name: 1-[[4-[(3,5-ditert-butylphenyl)methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid Openeye Name: 1-[[4-[(3,5-ditert-butylphenyl)methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid CAS Name: 1-[[4-[(3,5-ditert-butylphenyl)methoxy]phenyl]methyl]-3-pyrrolidinecarboxylic acid IUPAC Name: 1-[[4-[(3,5-ditert-butylphenyl)methoxy]phenyl]methyl]pyrrolidine-3-carboxylic acid Traditional Name: 1-[4-(3,5-ditert-butylbenzyl)oxybenzyl]pyrrolidine-3-carboxylic acid Formula: C27H37NO3 MolecularWeight: 423.58758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)COC2=CC=C(C=C2)CN3CCC(C3)C(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)COC2=CC=C(C=C2)CN3CCC(C3)C(=O)O)C(C)(C)C

InChI

InChI=1S/C27H37NO3/c1-26(2,3)22-13-20(14-23(15-22)27(4,5)6)18-31-24-9-7-19(8-10-24)16-28-12-11-21(17-28)25(29)30/h7-10,13-15,21H,11-12,16-18H2,1-6H3,(H,29,30)