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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)O

InChI

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