methyl 4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoate

Systemtic Name: methyl 4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoate Openeye Name: methyl 4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoate CAS Name: 4-[[1-[4-(4-tert-butylphenoxy)phenyl]-3-pyrrolidinyl]methoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoate Traditional Name: 4-[[1-[4-(4-tert-butylphenoxy)phenyl]pyrrolidin-3-yl]methoxy]benzoic acid methyl ester Formula: C29H33NO4 MolecularWeight: 459.57662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3CCC(C3)COC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)N3CCC(C3)COC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C29H33NO4/c1-29(2,3)23-7-13-26(14-8-23)34-27-15-9-24(10-16-27)30-18-17-21(19-30)20-33-25-11-5-22(6-12-25)28(31)32-4/h5-16,21H,17-20H2,1-4H3