pyrrolidin-3-yl 3-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-benzoate

Systemtic Name: pyrrolidin-3-yl 3-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-benzoate Openeye Name: pyrrolidin-3-yl 3-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-benzoate CAS Name: 3-[4-(4-tert-butylphenoxy)phenyl]-2-methoxybenzoic acid 3-pyrrolidinyl ester IUPAC Name: pyrrolidin-3-yl 3-[4-(4-tert-butylphenoxy)phenyl]-2-methoxybenzoate Traditional Name: 3-[4-(4-tert-butylphenoxy)phenyl]-2-methoxy-benzoic acid pyrrolidin-3-yl ester Formula: C28H31NO4 MolecularWeight: 445.55004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)OC4CCNC4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)OC4CCNC4)OC

InChI

InChI=1S/C28H31NO4/c1-28(2,3)20-10-14-22(15-11-20)32-21-12-8-19(9-13-21)24-6-5-7-25(26(24)31-4)27(30)33-23-16-17-29-18-23/h5-15,23,29H,16-18H2,1-4H3