ethyl 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(4-oxidanylbutoxy)phenyl]benzoate

Systemtic Name: ethyl 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(4-oxidanylbutoxy)phenyl]benzoate Openeye Name: ethyl 4-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(4-hydroxybutoxy)phenyl]benzoate CAS Name: 4-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-(4-hydroxybutoxy)phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(4-hydroxybutoxy)phenyl]benzoate Traditional Name: 4-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-(4-hydroxybutoxy)phenyl]benzoic acid ethyl ester Formula: C33H41NO4 MolecularWeight: 515.68294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCCO)C3=CC(=C(C=C3)N4CCCC4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCCCCO)C3=CC(=C(C=C3)N4CCCC4)C(C)(C)C

InChI

InChI=1S/C33H41NO4/c1-5-37-32(36)25-12-10-24(11-13-25)26-15-17-31(38-21-9-8-20-35)28(22-26)27-14-16-30(34-18-6-7-19-34)29(23-27)33(2,3)4/h10-17,22-23,35H,5-9,18-21H2,1-4H3