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

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-methoxy-3-pyrrolidin-1-yl-benzoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-methoxy-3-pyrrolidin-1-yl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinyl)benzoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 4-methoxy-3-pyrrolidin-1-ylbenzoate Traditional Name: 4-methoxy-3-pyrrolidino-benzoic acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C27H37NO4 MolecularWeight: 439.58698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)OC)N3CCCC3)C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C2=CC(=C(C=C2)OC)N3CCCC3)C(C)(C)C)OC

InChI

InChI=1S/C27H37NO4/c1-26(2,3)20-16-19(30-7)17-21(27(4,5)6)24(20)32-25(29)18-11-12-23(31-8)22(15-18)28-13-9-10-14-28/h11-12,15-17H,9-10,13-14H2,1-8H3