3-[(4-cyclopropyloxy-3-ethoxy-phenyl)-(pyrimidin-5-ylmethyl)amino]benzoic acid

Systemtic Name: 3-[(4-cyclopropyloxy-3-ethoxy-phenyl)-(pyrimidin-5-ylmethyl)amino]benzoic acid Openeye Name: 3-[4-(cyclopropoxy)-3-ethoxy-N-(pyrimidin-5-ylmethyl)anilino]benzoic acid CAS Name: 3-[4-cyclopropyloxy-3-ethoxy-N-(5-pyrimidinylmethyl)anilino]benzoic acid IUPAC Name: 3-[4-cyclopropyloxy-3-ethoxy-N-(pyrimidin-5-ylmethyl)anilino]benzoic acid Traditional Name: 3-[4-(cyclopropoxy)-3-ethoxy-N-(5-pyrimidylmethyl)anilino]benzoic acid Formula: C23H23N3O4 MolecularWeight: 405.44642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)N(CC2=CN=CN=C2)C3=CC=CC(=C3)C(=O)O)OC4CC4

Isomeric SMILES

CCOC1=C(C=CC(=C1)N(CC2=CN=CN=C2)C3=CC=CC(=C3)C(=O)O)OC4CC4

InChI

InChI=1S/C23H23N3O4/c1-2-29-22-11-19(6-9-21(22)30-20-7-8-20)26(14-16-12-24-15-25-13-16)18-5-3-4-17(10-18)23(27)28/h3-6,9-13,15,20H,2,7-8,14H2,1H3,(H,27,28)