(2,6-ditert-butyl-4-methoxy-phenyl) 4-phenyl-3-pyrrolidin-1-yl-benzoate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-phenyl-3-pyrrolidin-1-yl-benzoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-phenyl-3-pyrrolidin-1-yl-benzoate CAS Name: 4-phenyl-3-(1-pyrrolidinyl)benzoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 4-phenyl-3-pyrrolidin-1-ylbenzoate Traditional Name: 4-phenyl-3-pyrrolidino-benzoic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C32H39NO3 MolecularWeight: 485.65696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3)N4CCCC4)C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)C3=CC=CC=C3)N4CCCC4)C(C)(C)C)OC

InChI

InChI=1S/C32H39NO3/c1-31(2,3)26-20-24(35-7)21-27(32(4,5)6)29(26)36-30(34)23-15-16-25(22-13-9-8-10-14-22)28(19-23)33-17-11-12-18-33/h8-10,13-16,19-21H,11-12,17-18H2,1-7H3