ethyl 4-[3-(3-tert-butyl-5-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]benzoate

Systemtic Name: ethyl 4-[3-(3-tert-butyl-5-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]benzoate Openeye Name: ethyl 4-[3-(3-tert-butyl-5-chloro-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoate CAS Name: 4-[3-[3-tert-butyl-5-chloro-4-(1-pyrrolidinyl)phenyl]-4-(2-hydroxyethoxy)phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-tert-butyl-5-chloro-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoate Traditional Name: 4-[3-(3-tert-butyl-5-chloro-4-pyrrolidino-phenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid ethyl ester Formula: C31H36ClNO4 MolecularWeight: 522.07484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCCO)C3=CC(=C(C(=C3)Cl)N4CCCC4)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC(=C(C=C2)OCCO)C3=CC(=C(C(=C3)Cl)N4CCCC4)C(C)(C)C

InChI

InChI=1S/C31H36ClNO4/c1-5-36-30(35)22-10-8-21(9-11-22)23-12-13-28(37-17-16-34)25(18-23)24-19-26(31(2,3)4)29(27(32)20-24)33-14-6-7-15-33/h8-13,18-20,34H,5-7,14-17H2,1-4H3