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

Systemtic Name: 6-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(3-oxidanylpropoxy)phenyl]pyridine-3-carboxylic acid Openeye Name: 6-[3-(3-tert-butyl-4-pyrrolidin-1-yl-phenyl)-4-(3-hydroxypropoxy)phenyl]pyridine-3-carboxylic acid CAS Name: 6-[3-[3-tert-butyl-4-(1-pyrrolidinyl)phenyl]-4-(3-hydroxypropoxy)phenyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(3-hydroxypropoxy)phenyl]pyridine-3-carboxylic acid Traditional Name: 6-[3-(3-tert-butyl-4-pyrrolidino-phenyl)-4-(3-hydroxypropoxy)phenyl]nicotinic acid Formula: C29H34N2O4 MolecularWeight: 474.59126

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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)OCCCO)N4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O4/c1-29(2,3)24-18-20(8-11-26(24)31-13-4-5-14-31)23-17-21(9-12-27(23)35-16-6-15-32)25-10-7-22(19-30-25)28(33)34/h7-12,17-19,32H,4-6,13-16H2,1-3H3,(H,33,34)