4-[4-[[(4-heptan-4-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-2-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid

Systemtic Name: 4-[4-[[(4-heptan-4-ylphenyl)-propan-2-yl-amino]methyl]phenyl]-2-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid Openeye Name: 4-[4-[[N-isopropyl-4-(1-propylbutyl)anilino]methyl]phenyl]-2-(2-thienylmethoxy)pyridine-3-carboxylic acid CAS Name: 4-[4-[(4-heptan-4-yl-N-propan-2-ylanilino)methyl]phenyl]-2-(thiophen-2-ylmethoxy)-3-pyridinecarboxylic acid IUPAC Name: 4-[4-[(4-heptan-4-yl-N-propan-2-ylanilino)methyl]phenyl]-2-(thiophen-2-ylmethoxy)pyridine-3-carboxylic acid Traditional Name: 4-[4-[[N-isopropyl-4-(1-propylbutyl)anilino]methyl]phenyl]-2-(2-thenyloxy)nicotinic acid Formula: C34H40N2O3S MolecularWeight: 556.758

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=C(C(=NC=C3)OCC4=CC=CS4)C(=O)O)C(C)C

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)N(CC2=CC=C(C=C2)C3=C(C(=NC=C3)OCC4=CC=CS4)C(=O)O)C(C)C

InChI

InChI=1S/C34H40N2O3S/c1-5-8-26(9-6-2)27-15-17-29(18-16-27)36(24(3)4)22-25-11-13-28(14-12-25)31-19-20-35-33(32(31)34(37)38)39-23-30-10-7-21-40-30/h7,10-21,24,26H,5-6,8-9,22-23H2,1-4H3,(H,37,38)