5-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethoxy)phenyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-(2-hydroxyethoxy)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-(2-hydroxyethoxy)phenyl]-2-thenoic acid Formula: C27H31NO4S MolecularWeight: 465.60434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(S3)C(=O)O)OCCO)N4CCCC4

Isomeric SMILES

CC(C)(C)C1=C(C=CC(=C1)C2=C(C=CC(=C2)C3=CC=C(S3)C(=O)O)OCCO)N4CCCC4

InChI

InChI=1S/C27H31NO4S/c1-27(2,3)21-17-18(6-8-22(21)28-12-4-5-13-28)20-16-19(7-9-23(20)32-15-14-29)24-10-11-25(33-24)26(30)31/h6-11,16-17,29H,4-5,12-15H2,1-3H3,(H,30,31)