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

Systemtic Name: 4-[(3-cyclopentyloxy-4-methoxy-phenyl)-(pyrimidin-5-ylmethyl)amino]benzoic acid Openeye Name: 4-[3-(cyclopentoxy)-4-methoxy-N-(pyrimidin-5-ylmethyl)anilino]benzoic acid CAS Name: 4-[3-cyclopentyloxy-4-methoxy-N-(5-pyrimidinylmethyl)anilino]benzoic acid IUPAC Name: 4-[3-cyclopentyloxy-4-methoxy-N-(pyrimidin-5-ylmethyl)anilino]benzoic acid Traditional Name: 4-[3-(cyclopentoxy)-4-methoxy-N-(5-pyrimidylmethyl)anilino]benzoic acid Formula: C24H25N3O4 MolecularWeight: 419.473

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3O4/c1-30-22-11-10-20(12-23(22)31-21-4-2-3-5-21)27(15-17-13-25-16-26-14-17)19-8-6-18(7-9-19)24(28)29/h6-14,16,21H,2-5,15H2,1H3,(H,28,29)