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

Systemtic Name: 6-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethyloxy)phenyl]pyridine-3-carboxylic acid Openeye Name: 6-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxylic acid CAS Name: 6-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]pyridine-3-carboxylic acid Traditional Name: 6-[3-[3-tert-butyl-4-(diethylamino)phenyl]-4-(2-hydroxyethoxy)phenyl]nicotinic acid Formula: C28H34N2O4 MolecularWeight: 462.58056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34N2O4/c1-6-30(7-2)25-12-9-19(17-23(25)28(3,4)5)22-16-20(10-13-26(22)34-15-14-31)24-11-8-21(18-29-24)27(32)33/h8-13,16-18,31H,6-7,14-15H2,1-5H3,(H,32,33)