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

Systemtic Name: 5-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyridin-3-ylmethyl)amino]-2-methoxy-benzoic acid Openeye Name: 5-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-2-methoxy-benzoic acid CAS Name: 5-[3-cyclopentyloxy-4-methoxy-N-(3-pyridinylmethyl)anilino]-2-methoxybenzoic acid IUPAC Name: 5-[3-cyclopentyloxy-4-methoxy-N-(pyridin-3-ylmethyl)anilino]-2-methoxybenzoic acid Traditional Name: 5-[3-(cyclopentoxy)-4-methoxy-N-(3-pyridylmethyl)anilino]-2-methoxy-benzoic acid Formula: C26H28N2O5 MolecularWeight: 448.51092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)N(CC2=CN=CC=C2)C3=CC(=C(C=C3)OC)OC4CCCC4)C(=O)O

InChI

InChI=1S/C26H28N2O5/c1-31-23-11-9-19(14-22(23)26(29)30)28(17-18-6-5-13-27-16-18)20-10-12-24(32-2)25(15-20)33-21-7-3-4-8-21/h5-6,9-16,21H,3-4,7-8,17H2,1-2H3,(H,29,30)