3-[(5-cyclopentyloxy-4-methoxy-2-methyl-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(5-cyclopentyloxy-4-methoxy-2-methyl-phenyl)-(pyridin-3-ylmethyl)amino]benzoic acid Openeye Name: 3-[5-(cyclopentoxy)-4-methoxy-2-methyl-N-(3-pyridylmethyl)anilino]benzoic acid CAS Name: 3-[5-cyclopentyloxy-4-methoxy-2-methyl-N-(3-pyridinylmethyl)anilino]benzoic acid IUPAC Name: 3-[5-cyclopentyloxy-4-methoxy-2-methyl-N-(pyridin-3-ylmethyl)anilino]benzoic acid Traditional Name: 3-[5-(cyclopentoxy)-4-methoxy-2-methyl-N-(3-pyridylmethyl)anilino]benzoic acid Formula: C26H28N2O4 MolecularWeight: 432.51152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCCC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1N(CC2=CN=CC=C2)C3=CC=CC(=C3)C(=O)O)OC4CCCC4)OC

InChI

InChI=1S/C26H28N2O4/c1-18-13-24(31-2)25(32-22-10-3-4-11-22)15-23(18)28(17-19-7-6-12-27-16-19)21-9-5-8-20(14-21)26(29)30/h5-9,12-16,22H,3-4,10-11,17H2,1-2H3,(H,29,30)