6-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethyloxy)phenyl]pyridine-3-carboxylic acid Openeye Name: 6-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxylic acid CAS Name: 6-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-(2-hydroxyethoxy)phenyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxylic acid Traditional Name: 6-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-(2-hydroxyethoxy)phenyl]nicotinic acid Formula: C28H32N2O4 MolecularWeight: 460.56468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N2O4/c1-28(2,3)23-17-19(7-10-25(23)30-12-4-5-13-30)22-16-20(8-11-26(22)34-15-14-31)24-9-6-21(18-29-24)27(32)33/h6-11,16-18,31H,4-5,12-15H2,1-3H3,(H,32,33)